1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine

C16H24ClN — CID 106866820

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(CC2(N)CC(C)CCC2C)c(Cl)c1
InChIInChI=1S/C16H24ClN/c1-11-5-7-14(15(17)8-11)10-16(18)9-12(2)4-6-13(16)3/h5,7-8,12-13H,4,6,9-10,18H2,1-3H3
InChIKeyIRIUDCSHYLADPJ-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.34
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine

1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 106866820) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID106866820
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(CC2(N)CC(C)CCC2C)c(Cl)c1
InChIInChI=1S/C16H24ClN/c1-11-5-7-14(15(17)8-11)10-16(18)9-12(2)4-6-13(16)3/h5,7-8,12-13H,4,6,9-10,18H2,1-3H3
InChIKeyIRIUDCSHYLADPJ-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64776822
1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64763177
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
CID 106870484
1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774368
1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
3-[(2-chloro-4-methylphenyl)methyl]-3-fluorocyclohexan-1-amine
CID 106871133
1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine
CID 142181266
1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 64774371
1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64760587
1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine
CID 54958154
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 106869160

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine (CID 106866820) is 1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine is Cc1ccc(CC2(N)CC(C)CCC2C)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is IRIUDCSHYLADPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11-5-7-14(15(17)8-11)10-16(18)9-12(2)4-6-13(16)3/h5,7-8,12-13H,4,6,9-10,18H2,1-3H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106866820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).