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

C17H27N — CID 63994501

IUPACN-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C)CC2C)cc1C
InChIInChI=1S/C17H27N/c1-12-5-8-17(15(4)9-12)18-11-16-7-6-13(2)14(3)10-16/h6-7,10,12,15,17-18H,5,8-9,11H2,1-4H3
InChIKeyFLOIURRFWLQMFC-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.22
Rot. Bonds3

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

N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63994501) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63994501
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C)CC2C)cc1C
InChIInChI=1S/C17H27N/c1-12-5-8-17(15(4)9-12)18-11-16-7-6-13(2)14(3)10-16/h6-7,10,12,15,17-18H,5,8-9,11H2,1-4H3
InChIKeyFLOIURRFWLQMFC-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66474224
N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908240
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
CID 113423514
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994093
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994874
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxybenzonitrile
CID 106787523
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711594
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 63994501) is N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine is Cc1ccc(CNC2CCC(C)CC2C)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is FLOIURRFWLQMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-5-8-17(15(4)9-12)18-11-16-7-6-13(2)14(3)10-16/h6-7,10,12,15,17-18H,5,8-9,11H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.22, 3 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]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63994501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).