1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine

C17H27N — CID 64763177

IUPAC1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(CC2(N)CC(C)CCC2C)cc1C
InChIInChI=1S/C17H27N/c1-12-5-7-15(4)17(18,10-12)11-16-8-6-13(2)14(3)9-16/h6,8-9,12,15H,5,7,10-11,18H2,1-4H3
InChIKeyDOWUZGAJNZCEFP-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.00
Rot. Bonds2

About 1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine

1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 64763177) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID64763177
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(CC2(N)CC(C)CCC2C)cc1C
InChIInChI=1S/C17H27N/c1-12-5-7-15(4)17(18,10-12)11-16-8-6-13(2)14(3)9-16/h6,8-9,12,15H,5,7,10-11,18H2,1-4H3
InChIKeyDOWUZGAJNZCEFP-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64776822
1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774368
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 106866820
1-[(5-ethyl-2-pyridinyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 79745148
1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64760587
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744639
4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562344
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415430
1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 64774371
4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene
CID 116540815
3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 116539985

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine (CID 64763177) is 1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine is Cc1ccc(CC2(N)CC(C)CCC2C)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is DOWUZGAJNZCEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-5-7-15(4)17(18,10-12)11-16-8-6-13(2)14(3)9-16/h6,8-9,12,15H,5,7,10-11,18H2,1-4H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64763177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).