1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol

C16H26N2O — CID 55002007

IUPAC1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol
SMILESCC(C)CN(CC(O)c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C16H26N2O/c1-12(2)10-18(15-7-8-15)11-16(19)14-5-3-13(9-17)4-6-14/h3-6,12,15-16,19H,7-11,17H2,1-2H3
InChIKeySFPCGOUSCQSERC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds7

About 1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol

1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol (PubChem CID 55002007) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol
PubChem CID55002007
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol
SMILESCC(C)CN(CC(O)c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C16H26N2O/c1-12(2)10-18(15-7-8-15)11-16(19)14-5-3-13(9-17)4-6-14/h3-6,12,15-16,19H,7-11,17H2,1-2H3
InChIKeySFPCGOUSCQSERC-UHFFFAOYSA-N
XLogP2.30
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol
CID 43273373
1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82732204
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
1-[4-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanol
CID 43648580
2-[cyclopropyl(3-methylbutyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 110898512
2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 60970438
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
4-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119292306
1-[4-(aminomethyl)-N-cyclopropylanilino]-3-methylbutan-2-ol
CID 114249457
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
CID 78976695
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60968943

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol (CID 55002007) is 1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol is CC(C)CN(CC(O)c1ccc(CN)cc1)C1CC1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol?
The InChIKey is SFPCGOUSCQSERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)10-18(15-7-8-15)11-16(19)14-5-3-13(9-17)4-6-14/h3-6,12,15-16,19H,7-11,17H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol?
1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol is sourced from PubChem (CID 55002007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).