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

C16H25N — CID 43220454

IUPAC1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCCCC2)cc1C
InChIInChI=1S/C16H25N/c1-13-8-9-16(10-14(13)2)12-17-11-15-6-4-3-5-7-15/h8-10,15,17H,3-7,11-12H2,1-2H3
InChIKeyUEJOVFOHPUMLRH-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.97
Rot. Bonds4

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

1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine (PubChem CID 43220454) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
PubChem CID43220454
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCCCC2)cc1C
InChIInChI=1S/C16H25N/c1-13-8-9-16(10-14(13)2)12-17-11-15-6-4-3-5-7-15/h8-10,15,17H,3-7,11-12H2,1-2H3
InChIKeyUEJOVFOHPUMLRH-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
CID 106816234
1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine
CID 142817012
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 106121365
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine (CID 43220454) is 1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine is Cc1ccc(CNCC2CCCCC2)cc1C.
What is the InChIKey of 1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine?
The InChIKey is UEJOVFOHPUMLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-8-9-16(10-14(13)2)12-17-11-15-6-4-3-5-7-15/h8-10,15,17H,3-7,11-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine?
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 43220454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).