N-[(3,5-dimethylphenyl)methyl]cyclohexanamine

C15H23N — CID 60683536

IUPACN-[(3,5-dimethylphenyl)methyl]cyclohexanamine
SMILESCc1cc(C)cc(CNC2CCCCC2)c1
InChIInChI=1S/C15H23N/c1-12-8-13(2)10-14(9-12)11-16-15-6-4-3-5-7-15/h8-10,15-16H,3-7,11H2,1-2H3
InChIKeyLVUNAOJUXMNIRV-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.73
Rot. Bonds3

About N-[(3,5-dimethylphenyl)methyl]cyclohexanamine

N-[(3,5-dimethylphenyl)methyl]cyclohexanamine (PubChem CID 60683536) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]cyclohexanamine
PubChem CID60683536
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(3,5-dimethylphenyl)methyl]cyclohexanamine
SMILESCc1cc(C)cc(CNC2CCCCC2)c1
InChIInChI=1S/C15H23N/c1-12-8-13(2)10-14(9-12)11-16-15-6-4-3-5-7-15/h8-10,15-16H,3-7,11H2,1-2H3
InChIKeyLVUNAOJUXMNIRV-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
CID 130727776
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
N-[(5-methylfuran-3-yl)methyl]cyclohexanamine
CID 114820481
N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 55200279
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110
(1R)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81395487
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
benzene;N-benzylcyclohexanamine
CID 142622843

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]cyclohexanamine (CID 60683536) is N-[(3,5-dimethylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]cyclohexanamine is Cc1cc(C)cc(CNC2CCCCC2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]cyclohexanamine?
The InChIKey is LVUNAOJUXMNIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-8-13(2)10-14(9-12)11-16-15-6-4-3-5-7-15/h8-10,15-16H,3-7,11H2,1-2H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]cyclohexanamine?
N-[(3,5-dimethylphenyl)methyl]cyclohexanamine has a molecular weight of 217.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 60683536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).