2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium)

C63H111Cl3N14O13Y3-6 — CID 162227457

IUPAC2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium)
SMILESCC(C)(C)OC(=O)NCCN.CC(C)(C)OC(=O)NCCN[C-]=O.NCCN.NCCO.O=C(NCCO)Nc1cccc(Cl)c1.O=[C-]NCCNC(=O)Nc1cccc(Cl)c1.O=[C-]OCCNC(=O)Nc1cccc(Cl)c1.[CH2-]CCCC.[CH2-]CCCC.[CH2-]CCCC.[Y].[Y].[Y]
InChIInChI=1S/C10H11ClN3O2.C10H10ClN2O3.C9H11ClN2O2.C8H15N2O3.C7H16N2O2.3C5H11.C2H8N2.C2H7NO.3Y/c11-8-2-1-3-9(6-8)14-10(16)13-5-4-12-7-15;11-8-2-1-3-9(6-8)13-10(15)12-4-5-16-7-14;10-7-2-1-3-8(6-7)12-9(14)11-4-5-13;1-8(2,3)13-7(12)10-5-4-9-6-11;1-7(2,3)11-6(10)9-5-4-8;3*1-3-5-4-2;2*3-1-2-4;;;/h1-3,6H,4-5H2,(H,12,15)(H2,13,14,16);1-3,6H,4-5H2,(H2,12,13,15);1-3,6,13H,4-5H2,(H2,11,12,14);4-5H2,1-3H3,(H,9,11)(H,10,12);4-5,8H2,1-3H3,(H,9,10);3*1,3-5H2,2H3;1-4H2;4H,1-3H2;;;/q2*-1;;-1;;3*-1;;;;;
InChIKeyBEUVLMBENJBHCT-UHFFFAOYSA-N
MW1645.74 g/mol
LogP8.62
Rot. Bonds27

About 2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium)

2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium) (PubChem CID 162227457) has the molecular formula C63H111Cl3N14O13Y3-6 and a molecular weight of 1645.74 g/mol. Its IUPAC name is 2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium).

Molecular Properties

Compound Name2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium)
PubChem CID162227457
Molecular FormulaC63H111Cl3N14O13Y3-6
Molecular Weight1645.74 g/mol
Exact Mass1643.47
IUPAC Name2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium)
SMILESCC(C)(C)OC(=O)NCCN.CC(C)(C)OC(=O)NCCN[C-]=O.NCCN.NCCO.O=C(NCCO)Nc1cccc(Cl)c1.O=[C-]NCCNC(=O)Nc1cccc(Cl)c1.O=[C-]OCCNC(=O)Nc1cccc(Cl)c1.[CH2-]CCCC.[CH2-]CCCC.[CH2-]CCCC.[Y].[Y].[Y]
InChIInChI=1S/C10H11ClN3O2.C10H10ClN2O3.C9H11ClN2O2.C8H15N2O3.C7H16N2O2.3C5H11.C2H8N2.C2H7NO.3Y/c11-8-2-1-3-9(6-8)14-10(16)13-5-4-12-7-15;11-8-2-1-3-9(6-8)13-10(15)12-4-5-16-7-14;10-7-2-1-3-8(6-7)12-9(14)11-4-5-13;1-8(2,3)13-7(12)10-5-4-9-6-11;1-7(2,3)11-6(10)9-5-4-8;3*1-3-5-4-2;2*3-1-2-4;;;/h1-3,6H,4-5H2,(H,12,15)(H2,13,14,16);1-3,6H,4-5H2,(H2,12,13,15);1-3,6,13H,4-5H2,(H2,11,12,14);4-5H2,1-3H3,(H,9,11)(H,10,12);4-5,8H2,1-3H3,(H,9,10);3*1,3-5H2,2H3;1-4H2;4H,1-3H2;;;/q2*-1;;-1;;3*-1;;;;;
InChIKeyBEUVLMBENJBHCT-UHFFFAOYSA-N
XLogP8.62
TPSA429.09 Ų
H-Bond Donors16
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001645.74
LogP ≤ 58.62
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze 2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium) with MolForge

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Related Compounds

1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;pentane;yttrium
CID 59168747
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoylamino]benzenesulfonic acid
CID 108864331
1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 115865549
1-(2-tert-butylsulfanylethyl)-3-(3-chlorophenyl)urea
CID 3884756
3-(3-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 146289120
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
butyl 2-(3-chloroanilino)-2-oxoacetate
CID 6424255
1-(3-chlorophenyl)-3-[(4S)-4-[[(3-chlorophenyl)carbamoylamino]methyl]-4-ethyloctyl]urea
CID 27255107
tert-butyl N-(2-hydroxyethyl)carbamate;1-chloro-4-methylbenzene
CID 145267915
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium)?
The IUPAC name of 2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium) (CID 162227457) is 2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium).
What is the SMILES notation for 2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium)?
The canonical SMILES for 2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium) is CC(C)(C)OC(=O)NCCN.CC(C)(C)OC(=O)NCCN[C-]=O.NCCN.NCCO.O=C(NCCO)Nc1cccc(Cl)c1.O=[C-]NCCNC(=O)Nc1cccc(Cl)c1.O=[C-]OCCNC(=O)Nc1cccc(Cl)c1.[CH2-]CCCC.[CH2-]CCCC.[CH2-]CCCC.[Y].[Y].[Y].
What is the InChIKey of 2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium)?
The InChIKey is BEUVLMBENJBHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN3O2.C10H10ClN2O3.C9H11ClN2O2.C8H15N2O3.C7H16N2O2.3C5H11.C2H8N2.C2H7NO.3Y/c11-8-2-1-3-9(6-8)14-10(16)13-5-4-12-7-15;11-8-2-1-3-9(6-8)13-10(15)12-4-5-16-7-14;10-7-2-1-3-8(6-7)12-9(14)11-4-5-13;1-8(2,3)13-7(12)10-5-4-9-6-11;1-7(2,3)11-6(10)9-5-4-8;3*1-3-5-4-2;2*3-1-2-4;;;/h1-3,6H,4-5H2,(H,12,15)(H2,13,14,16);1-3,6H,4-5H2,(H2,12,13,15);1-3,6,13H,4-5H2,(H2,11,12,14);4-5H2,1-3H3,(H,9,11)(H,10,12);4-5,8H2,1-3H3,(H,9,10);3*1,3-5H2,2H3;1-4H2;4H,1-3H2;;;/q2*-1;;-1;;3*-1;;;;;.
What are the key properties of 2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium)?
2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium) has a molecular weight of 1645.74 g/mol, XLogP of 8.62, 27 rotatable bonds, 16 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(oxomethylamino)ethyl]carbamate;1-(3-chlorophenyl)-3-(2-hydroxyethyl)urea;1-(3-chlorophenyl)-3-[2-(oxomethoxy)ethyl]urea;1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;ethane-1,2-diamine;tris(pentane);tris(yttrium) is sourced from PubChem (CID 162227457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).