N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine

C19H31NO — CID 81389074

IUPACN-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(N[C@@H](C)C1CCCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C19H31NO/c1-4-19(17-11-13-18(21-3)14-12-17)20-15(2)16-9-7-5-6-8-10-16/h11-16,19-20H,4-10H2,1-3H3/t15-,19?/m0/s1
InChIKeyWCVQLXVJAWMTHB-FUKCDUGKSA-N
MW289.46 g/mol
LogP5.09
Rot. Bonds6

About N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine

N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 81389074) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
PubChem CID81389074
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(N[C@@H](C)C1CCCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C19H31NO/c1-4-19(17-11-13-18(21-3)14-12-17)20-15(2)16-9-7-5-6-8-10-16/h11-16,19-20H,4-10H2,1-3H3/t15-,19?/m0/s1
InChIKeyWCVQLXVJAWMTHB-FUKCDUGKSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
CID 81386303
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81387812
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
N-(cyclohexylmethyl)-2-[1-(4-methoxyphenyl)propylamino]propanamide
CID 112771603
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
N-(2-cyclohexyloxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 63826934
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine (CID 81389074) is N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine is CCC(N[C@@H](C)C1CCCCCC1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is WCVQLXVJAWMTHB-FUKCDUGKSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-19(17-11-13-18(21-3)14-12-17)20-15(2)16-9-7-5-6-8-10-16/h11-16,19-20H,4-10H2,1-3H3/t15-,19?/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine?
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 81389074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).