N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine

C16H24ClN — CID 106862708

IUPACN-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C)(C)CC2)c(Cl)c1
InChIInChI=1S/C16H24ClN/c1-12-4-5-13(15(17)10-12)11-18-14-6-8-16(2,3)9-7-14/h4-5,10,14,18H,6-9,11H2,1-3H3
InChIKeyBQEYDNJLJQNULT-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.71
Rot. Bonds3

About N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine

N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 106862708) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID106862708
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C)(C)CC2)c(Cl)c1
InChIInChI=1S/C16H24ClN/c1-12-4-5-13(15(17)10-12)11-18-14-6-8-16(2,3)9-7-14/h4-5,10,14,18H,6-9,11H2,1-3H3
InChIKeyBQEYDNJLJQNULT-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 106862872
N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544212
N-[(2-chloro-4-methylphenyl)methyl]thiolan-3-amine
CID 106863336
N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 106862537
N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 106870096
5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
CID 106862663
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 106863004
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine
CID 106869831
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 106862708) is N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine is Cc1ccc(CNC2CCC(C)(C)CC2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is BQEYDNJLJQNULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12-4-5-13(15(17)10-12)11-18-14-6-8-16(2,3)9-7-14/h4-5,10,14,18H,6-9,11H2,1-3H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine?
N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106862708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).