1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine

C14H19Cl2N — CID 63408298

IUPAC1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-10-4-2-3-7-14(10,17)9-11-5-6-12(15)13(16)8-11/h5-6,8,10H,2-4,7,9,17H2,1H3
InChIKeyCSVFIJWJRNWEBF-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.44
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine

1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 63408298) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
PubChem CID63408298
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-10-4-2-3-7-14(10,17)9-11-5-6-12(15)13(16)8-11/h5-6,8,10H,2-4,7,9,17H2,1H3
InChIKeyCSVFIJWJRNWEBF-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine (CID 63408298) is 1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine is CC1CCCCC1(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is CSVFIJWJRNWEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10-4-2-3-7-14(10,17)9-11-5-6-12(15)13(16)8-11/h5-6,8,10H,2-4,7,9,17H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine?
1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 63408298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).