tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol

C75H123FN10O17S — CID 158476661

IUPACtert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol
SMILESCC.CC.CC(C)N(CCOc1ccc(N)cc1)C(=O)OC(C)(C)C.CC(C)N(CCOc1ccc(NCS)cc1)C(=O)OC(C)(C)C.CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C.CC(C)NCCO.CC(C)NCCOc1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccc(F)cc1
InChIInChI=1S/C17H28N2O3S.C16H24N2O5.C16H26N2O3.C11H16N2O3.C6H4FNO2.C5H13NO.2C2H6/c1-13(2)19(16(20)22-17(3,4)5)10-11-21-15-8-6-14(7-9-15)18-12-23;1-12(2)17(15(19)23-16(3,4)5)10-11-22-14-8-6-13(7-9-14)18(20)21;1-12(2)18(15(19)21-16(3,4)5)10-11-20-14-8-6-13(17)7-9-14;1-9(2)12-7-8-16-11-5-3-10(4-6-11)13(14)15;7-5-1-3-6(4-2-5)8(9)10;1-5(2)6-3-4-7;2*1-2/h6-9,13,18,23H,10-12H2,1-5H3;6-9,12H,10-11H2,1-5H3;6-9,12H,10-11,17H2,1-5H3;3-6,9,12H,7-8H2,1-2H3;1-4H;5-7H,3-4H2,1-2H3;2*1-2H3
InChIKeyHHAFFBGQAXSWHB-UHFFFAOYSA-N
MW1487.93 g/mol
LogP16.66
Rot. Bonds28

About tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol

tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol (PubChem CID 158476661) has the molecular formula C75H123FN10O17S and a molecular weight of 1487.93 g/mol. Its IUPAC name is tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Nametert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol
PubChem CID158476661
Molecular FormulaC75H123FN10O17S
Molecular Weight1487.93 g/mol
Exact Mass1486.88
IUPAC Nametert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol
SMILESCC.CC.CC(C)N(CCOc1ccc(N)cc1)C(=O)OC(C)(C)C.CC(C)N(CCOc1ccc(NCS)cc1)C(=O)OC(C)(C)C.CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C.CC(C)NCCO.CC(C)NCCOc1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccc(F)cc1
InChIInChI=1S/C17H28N2O3S.C16H24N2O5.C16H26N2O3.C11H16N2O3.C6H4FNO2.C5H13NO.2C2H6/c1-13(2)19(16(20)22-17(3,4)5)10-11-21-15-8-6-14(7-9-15)18-12-23;1-12(2)17(15(19)23-16(3,4)5)10-11-22-14-8-6-13(7-9-14)18(20)21;1-12(2)18(15(19)21-16(3,4)5)10-11-20-14-8-6-13(17)7-9-14;1-9(2)12-7-8-16-11-5-3-10(4-6-11)13(14)15;7-5-1-3-6(4-2-5)8(9)10;1-5(2)6-3-4-7;2*1-2/h6-9,13,18,23H,10-12H2,1-5H3;6-9,12H,10-11H2,1-5H3;6-9,12H,10-11,17H2,1-5H3;3-6,9,12H,7-8H2,1-2H3;1-4H;5-7H,3-4H2,1-2H3;2*1-2H3
InChIKeyHHAFFBGQAXSWHB-UHFFFAOYSA-N
XLogP16.66
TPSA337.30 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001487.93
LogP ≤ 516.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol with MolForge

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Related Compounds

4-[2-(4-nitroanilino)ethoxy]aniline
CID 63237676
tert-butyl 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetate
CID 162116260
tert-butyl N-methyl-N-[2-(4-nitroanilino)ethyl]carbamate
CID 138521625
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)sulfanylpropanamide
CID 46637984
(2S)-2-(4-fluorophenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9309027
1-fluoro-4-nitrobenzene;4-nitro-N-(2-propan-2-yloxyethyl)aniline;2-propan-2-yloxyethanamine;4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine;dihydrochloride
CID 159370928
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 23506958
1,1-bis[2-(dimethylamino)ethyl]-3-[2-(4-nitrophenoxy)ethyl]-3-propan-2-ylurea
CID 19869522
methyl 4-[3-(4-nitroanilino)propoxy]benzoate
CID 14882823
tert-butyl N-[2-(4-isothiocyanatophenoxy)ethyl]-N-propan-2-ylcarbamate
CID 86590645
1-methylsulfonyl-N-[2-(4-nitrophenoxy)ethyl]propan-2-amine
CID 64631837
tert-butyl N-propan-2-yl-N-[2-[4-(thiaziridin-2-yl)phenoxy]ethyl]carbamate
CID 142830515

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol?
The IUPAC name of tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol (CID 158476661) is tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol.
What is the SMILES notation for tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol?
The canonical SMILES for tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol is CC.CC.CC(C)N(CCOc1ccc(N)cc1)C(=O)OC(C)(C)C.CC(C)N(CCOc1ccc(NCS)cc1)C(=O)OC(C)(C)C.CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C.CC(C)NCCO.CC(C)NCCOc1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol?
The InChIKey is HHAFFBGQAXSWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S.C16H24N2O5.C16H26N2O3.C11H16N2O3.C6H4FNO2.C5H13NO.2C2H6/c1-13(2)19(16(20)22-17(3,4)5)10-11-21-15-8-6-14(7-9-15)18-12-23;1-12(2)17(15(19)23-16(3,4)5)10-11-22-14-8-6-13(7-9-14)18(20)21;1-12(2)18(15(19)21-16(3,4)5)10-11-20-14-8-6-13(17)7-9-14;1-9(2)12-7-8-16-11-5-3-10(4-6-11)13(14)15;7-5-1-3-6(4-2-5)8(9)10;1-5(2)6-3-4-7;2*1-2/h6-9,13,18,23H,10-12H2,1-5H3;6-9,12H,10-11H2,1-5H3;6-9,12H,10-11,17H2,1-5H3;3-6,9,12H,7-8H2,1-2H3;1-4H;5-7H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol?
tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol has a molecular weight of 1487.93 g/mol, XLogP of 16.66, 28 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-(4-nitrophenoxy)ethyl]-N-propan-2-ylcarbamate;tert-butyl N-propan-2-yl-N-[2-[4-(sulfanylmethylamino)phenoxy]ethyl]carbamate;ethane;1-fluoro-4-nitrobenzene;N-[2-(4-nitrophenoxy)ethyl]propan-2-amine;2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 158476661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).