3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine

C14H20ClN — CID 107560962

IUPAC3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C14H20ClN/c1-10-6-7-12(9-14(10)15)11-4-3-5-13(8-11)16-2/h6-7,9,11,13,16H,3-5,8H2,1-2H3
InChIKeyHTQGPGJUUCIFFO-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.89
Rot. Bonds2

About 3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine

3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine (PubChem CID 107560962) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine
PubChem CID107560962
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C14H20ClN/c1-10-6-7-12(9-14(10)15)11-4-3-5-13(8-11)16-2/h6-7,9,11,13,16H,3-5,8H2,1-2H3
InChIKeyHTQGPGJUUCIFFO-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine (CID 107560962) is 3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine is CNC1CCCC(c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine?
The InChIKey is HTQGPGJUUCIFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-6-7-12(9-14(10)15)11-4-3-5-13(8-11)16-2/h6-7,9,11,13,16H,3-5,8H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine?
3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 107560962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).