(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine

C16H25NO — CID 81371290

IUPAC(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NCC2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(15-8-10-16(18-2)11-9-15)17-12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3/t13-/m0/s1
InChIKeyBHOHGPUKNNVTEM-ZDUSSCGKSA-N
MW247.38 g/mol
LogP3.93
Rot. Bonds5

About (1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine

(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 81371290) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
PubChem CID81371290
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NCC2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(15-8-10-16(18-2)11-9-15)17-12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3/t13-/m0/s1
InChIKeyBHOHGPUKNNVTEM-ZDUSSCGKSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634175
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
N-(cyclohexylmethyl)-1-[4-(2-ethoxyethoxy)phenyl]ethanamine
CID 54804421
N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 113348515

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine (CID 81371290) is (1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@H](C)NCC2CCCCC2)cc1.
What is the InChIKey of (1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is BHOHGPUKNNVTEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(15-8-10-16(18-2)11-9-15)17-12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine?
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81371290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).