1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine

C17H27N — CID 63479047

IUPAC1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C17H27N/c1-13-9-10-17(14(2)11-13)12-18-15(3)16-7-5-4-6-8-16/h9-11,15-16,18H,4-8,12H2,1-3H3
InChIKeyJTZMYTDTNUZZPM-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.36
Rot. Bonds4

About 1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine

1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine (PubChem CID 63479047) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine
PubChem CID63479047
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)C2CCCCC2)c(C)c1
InChIInChI=1S/C17H27N/c1-13-9-10-17(14(2)11-13)12-18-15(3)16-7-5-4-6-8-16/h9-11,15-16,18H,4-8,12H2,1-3H3
InChIKeyJTZMYTDTNUZZPM-UHFFFAOYSA-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

4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 104930169
4-[[[(1S)-1-cyclopentylethyl]amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 104930170
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzene-1,2,3-triol
CID 107730932
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol
CID 113355725
N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-cyclohexylethanamine
CID 104862320
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine (CID 63479047) is 1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine is Cc1ccc(CNC(C)C2CCCCC2)c(C)c1.
What is the InChIKey of 1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is JTZMYTDTNUZZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-9-10-17(14(2)11-13)12-18-15(3)16-7-5-4-6-8-16/h9-11,15-16,18H,4-8,12H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine?
1-cyclohexyl-N-[(2,4-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 1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 63479047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).