4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine

C17H28N2 — CID 115213466

IUPAC4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCc1ccc(CN(C)CC2CCC(N)CC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-4-7-16(14(2)10-13)12-19(3)11-15-5-8-17(18)9-6-15/h4,7,10,15,17H,5-6,8-9,11-12,18H2,1-3H3
InChIKeyQSVRJSGZNZDGNN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.25
Rot. Bonds4

About 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine

4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine (PubChem CID 115213466) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine
PubChem CID115213466
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCc1ccc(CN(C)CC2CCC(N)CC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-4-7-16(14(2)10-13)12-19(3)11-15-5-8-17(18)9-6-15/h4,7,10,15,17H,5-6,8-9,11-12,18H2,1-3H3
InChIKeyQSVRJSGZNZDGNN-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512212
N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119475057
[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213236
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401
N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54884594
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 61417130
(3aS,7aS)-2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11938516
3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine
CID 115214218

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine (CID 115213466) is 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine is Cc1ccc(CN(C)CC2CCC(N)CC2)c(C)c1.
What is the InChIKey of 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The InChIKey is QSVRJSGZNZDGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-4-7-16(14(2)10-13)12-19(3)11-15-5-8-17(18)9-6-15/h4,7,10,15,17H,5-6,8-9,11-12,18H2,1-3H3.
What are the key properties of 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).