(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine

C17H27N — CID 81384359

IUPAC(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
SMILESCc1ccc(CN[C@@H](C)C2CCCCC2)cc1C
InChIInChI=1S/C17H27N/c1-13-9-10-16(11-14(13)2)12-18-15(3)17-7-5-4-6-8-17/h9-11,15,17-18H,4-8,12H2,1-3H3/t15-/m0/s1
InChIKeyAXJYBTFFAMOMTE-HNNXBMFYSA-N
MW245.41 g/mol
LogP4.36
Rot. Bonds4

About (1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine (PubChem CID 81384359) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
PubChem CID81384359
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
SMILESCc1ccc(CN[C@@H](C)C2CCCCC2)cc1C
InChIInChI=1S/C17H27N/c1-13-9-10-16(11-14(13)2)12-18-15(3)17-7-5-4-6-8-17/h9-11,15,17-18H,4-8,12H2,1-3H3/t15-/m0/s1
InChIKeyAXJYBTFFAMOMTE-HNNXBMFYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
CID 81392983
(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 81391098
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine
CID 106816243
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine (CID 81384359) is (1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine is Cc1ccc(CN[C@@H](C)C2CCCCC2)cc1C.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is AXJYBTFFAMOMTE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-9-10-16(11-14(13)2)12-18-15(3)17-7-5-4-6-8-17/h9-11,15,17-18H,4-8,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 81384359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).