N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine

C18H29NO — CID 81375811

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N[C@@H](C)c2cccc(OC)c2)CC1
InChIInChI=1S/C18H29NO/c1-4-6-15-9-11-17(12-10-15)19-14(2)16-7-5-8-18(13-16)20-3/h5,7-8,13-15,17,19H,4,6,9-12H2,1-3H3/t14-,15?,17?/m0/s1
InChIKeySBKREUIRSTWYDL-UQPPLGOBSA-N
MW275.44 g/mol
LogP4.70
Rot. Bonds6

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine

N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine (PubChem CID 81375811) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine
PubChem CID81375811
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N[C@@H](C)c2cccc(OC)c2)CC1
InChIInChI=1S/C18H29NO/c1-4-6-15-9-11-17(12-10-15)19-14(2)16-7-5-8-18(13-16)20-3/h5,7-8,13-15,17,19H,4,6,9-12H2,1-3H3/t14-,15?,17?/m0/s1
InChIKeySBKREUIRSTWYDL-UQPPLGOBSA-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

4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
[(3-methoxyphenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232266
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 81365897
N-[1-(3-methoxyphenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103729416
4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 61171340
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine (CID 81375811) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N[C@@H](C)c2cccc(OC)c2)CC1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine?
The InChIKey is SBKREUIRSTWYDL-UQPPLGOBSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-6-15-9-11-17(12-10-15)19-14(2)16-7-5-8-18(13-16)20-3/h5,7-8,13-15,17,19H,4,6,9-12H2,1-3H3/t14-,15?,17?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-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-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 81375811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).