N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine

C15H25FN2O — CID 107445151

IUPACN'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(F)cc1C(C)NCCNC(C)(C)C
InChIInChI=1S/C15H25FN2O/c1-11(17-8-9-18-15(2,3)4)13-10-12(16)6-7-14(13)19-5/h6-7,10-11,17-18H,8-9H2,1-5H3
InChIKeyLMHSGPMVJHRJAQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.87
Rot. Bonds6

About N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine

N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 107445151) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID107445151
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC NameN'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(F)cc1C(C)NCCNC(C)(C)C
InChIInChI=1S/C15H25FN2O/c1-11(17-8-9-18-15(2,3)4)13-10-12(16)6-7-14(13)19-5/h6-7,10-11,17-18H,8-9H2,1-5H3
InChIKeyLMHSGPMVJHRJAQ-UHFFFAOYSA-N
XLogP2.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43728630
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
1-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001482
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102977960
N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 60789929
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 106816460
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 107445151) is N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine is COc1ccc(F)cc1C(C)NCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is LMHSGPMVJHRJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-11(17-8-9-18-15(2,3)4)13-10-12(16)6-7-14(13)19-5/h6-7,10-11,17-18H,8-9H2,1-5H3.
What are the key properties of N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 107445151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).