N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine

C18H29NO — CID 81387812

IUPACN-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(N[C@@H](C)C1CCCCC1)c1ccccc1OC
InChIInChI=1S/C18H29NO/c1-4-17(16-12-8-9-13-18(16)20-3)19-14(2)15-10-6-5-7-11-15/h8-9,12-15,17,19H,4-7,10-11H2,1-3H3/t14-,17?/m0/s1
InChIKeyOTJRLFJLCZYNJF-MBIQTGHCSA-N
MW275.44 g/mol
LogP4.70
Rot. Bonds6

About N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine

N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine (PubChem CID 81387812) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine
PubChem CID81387812
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(N[C@@H](C)C1CCCCC1)c1ccccc1OC
InChIInChI=1S/C18H29NO/c1-4-17(16-12-8-9-13-18(16)20-3)19-14(2)15-10-6-5-7-11-15/h8-9,12-15,17,19H,4-7,10-11H2,1-3H3/t14-,17?/m0/s1
InChIKeyOTJRLFJLCZYNJF-MBIQTGHCSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine
CID 64918822
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 81389074
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CID 70442414
1-cyclopropyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81397213
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
N-(1-cyclohexylethyl)-1-(furan-2-yl)propan-1-amine
CID 62631853
2-(cycloheptylamino)-2-(2-methoxyphenyl)ethanol
CID 61055556
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
[2-cyclopentyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191072
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine (CID 81387812) is N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine is CCC(N[C@@H](C)C1CCCCC1)c1ccccc1OC.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine?
The InChIKey is OTJRLFJLCZYNJF-MBIQTGHCSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-17(16-12-8-9-13-18(16)20-3)19-14(2)15-10-6-5-7-11-15/h8-9,12-15,17,19H,4-7,10-11H2,1-3H3/t14-,17?/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine?
N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 81387812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).