(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine

C17H27N — CID 81387895

IUPAC(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
SMILESCCc1ccc(CN[C@@H](C)C2CCCCC2)cc1
InChIInChI=1S/C17H27N/c1-3-15-9-11-16(12-10-15)13-18-14(2)17-7-5-4-6-8-17/h9-12,14,17-18H,3-8,13H2,1-2H3/t14-/m0/s1
InChIKeyPFMCYYWBBTYJHC-AWEZNQCLSA-N
MW245.41 g/mol
LogP4.31
Rot. Bonds5

About (1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine (PubChem CID 81387895) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
PubChem CID81387895
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
SMILESCCc1ccc(CN[C@@H](C)C2CCCCC2)cc1
InChIInChI=1S/C17H27N/c1-3-15-9-11-16(12-10-15)13-18-14(2)17-7-5-4-6-8-17/h9-12,14,17-18H,3-8,13H2,1-2H3/t14-/m0/s1
InChIKeyPFMCYYWBBTYJHC-AWEZNQCLSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 103779601
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 81389655
4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
CID 43769966
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385
(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81391494
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzoic acid
CID 81389676

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine (CID 81387895) is (1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine is CCc1ccc(CN[C@@H](C)C2CCCCC2)cc1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine?
The InChIKey is PFMCYYWBBTYJHC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N/c1-3-15-9-11-16(12-10-15)13-18-14(2)17-7-5-4-6-8-17/h9-12,14,17-18H,3-8,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 81387895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).