1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine

C17H27N — CID 114094777

IUPAC1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCc1ccc(C)c(CNCC2(C)CCCCC2)c1
InChIInChI=1S/C17H27N/c1-14-7-8-15(2)16(11-14)12-18-13-17(3)9-5-4-6-10-17/h7-8,11,18H,4-6,9-10,12-13H2,1-3H3
InChIKeyOGBJYBMGUKIVOC-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.36
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine

1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine (PubChem CID 114094777) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
PubChem CID114094777
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCc1ccc(C)c(CNCC2(C)CCCCC2)c1
InChIInChI=1S/C17H27N/c1-14-7-8-15(2)16(11-14)12-18-13-17(3)9-5-4-6-10-17/h7-8,11,18H,4-6,9-10,12-13H2,1-3H3
InChIKeyOGBJYBMGUKIVOC-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

1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246164
1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 113362738
N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765888
1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094805
1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242888
1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 113253102
1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957495
1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine
CID 65025938
N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103753029
3-methyl-4-[[(1-methylcyclobutyl)methylamino]methyl]benzonitrile
CID 114107870
1-(2-bromo-5-chlorophenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094772
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 115876700

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine (CID 114094777) is 1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine is Cc1ccc(C)c(CNCC2(C)CCCCC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The InChIKey is OGBJYBMGUKIVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-7-8-15(2)16(11-14)12-18-13-17(3)9-5-4-6-10-17/h7-8,11,18H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine 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-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 114094777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).