(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine

C16H25NO — CID 81387045

IUPAC(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@@H](C)C2CCCCC2)c1
InChIInChI=1S/C16H25NO/c1-13(15-8-4-3-5-9-15)17-12-14-7-6-10-16(11-14)18-2/h6-7,10-11,13,15,17H,3-5,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyDKGPJEVPKBYPJI-ZDUSSCGKSA-N
MW247.38 g/mol
LogP3.75
Rot. Bonds5

About (1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 81387045) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID81387045
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@@H](C)C2CCCCC2)c1
InChIInChI=1S/C16H25NO/c1-13(15-8-4-3-5-9-15)17-12-14-7-6-10-16(11-14)18-2/h6-7,10-11,13,15,17H,3-5,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyDKGPJEVPKBYPJI-ZDUSSCGKSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
(1R)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81395158
(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81385952
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine (CID 81387045) is (1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine is COc1cccc(CN[C@@H](C)C2CCCCC2)c1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is DKGPJEVPKBYPJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(15-8-4-3-5-9-15)17-12-14-7-6-10-16(11-14)18-2/h6-7,10-11,13,15,17H,3-5,8-9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81387045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).