1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine

C16H25N — CID 63455202

IUPAC1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCCCC2C)cc1
InChIInChI=1S/C16H25N/c1-13-7-9-15(10-8-13)11-17-12-16-6-4-3-5-14(16)2/h7-10,14,16-17H,3-6,11-12H2,1-2H3
InChIKeyPQQGGHOQWVNNPT-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.91
Rot. Bonds4

About 1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine

1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine (PubChem CID 63455202) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
PubChem CID63455202
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCCCC2C)cc1
InChIInChI=1S/C16H25N/c1-13-7-9-15(10-8-13)11-17-12-16-6-4-3-5-14(16)2/h7-10,14,16-17H,3-6,11-12H2,1-2H3
InChIKeyPQQGGHOQWVNNPT-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416779
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453620
1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66409634
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
1-(2-methylcyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 107418287
methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107416889
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine (CID 63455202) is 1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine is Cc1ccc(CNCC2CCCCC2C)cc1.
What is the InChIKey of 1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine?
The InChIKey is PQQGGHOQWVNNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-7-9-15(10-8-13)11-17-12-16-6-4-3-5-14(16)2/h7-10,14,16-17H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine?
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine is sourced from PubChem (CID 63455202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).