N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine

C17H27N — CID 55194085

IUPACN-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCc1ccc(CNCC2CCCCC2C)cc1C
InChIInChI=1S/C17H27N/c1-13-8-9-16(10-15(13)3)11-18-12-17-7-5-4-6-14(17)2/h8-10,14,17-18H,4-7,11-12H2,1-3H3
InChIKeyCKEMLYWBEXGWQA-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.22
Rot. Bonds4

About N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine

N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine (PubChem CID 55194085) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
PubChem CID55194085
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCc1ccc(CNCC2CCCCC2C)cc1C
InChIInChI=1S/C17H27N/c1-13-8-9-16(10-15(13)3)11-18-12-17-7-5-4-6-14(17)2/h8-10,14,17-18H,4-7,11-12H2,1-3H3
InChIKeyCKEMLYWBEXGWQA-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
CID 107416951
2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile
CID 106787316
N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416779
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine (CID 55194085) is N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine is Cc1ccc(CNCC2CCCCC2C)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The InChIKey is CKEMLYWBEXGWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-8-9-16(10-15(13)3)11-18-12-17-7-5-4-6-14(17)2/h8-10,14,17-18H,4-7,11-12H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine is sourced from PubChem (CID 55194085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).