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

C16H24ClN — CID 107560967

IUPAC3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCC(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C16H24ClN/c1-3-18-15-7-5-4-6-13(10-15)14-9-8-12(2)16(17)11-14/h8-9,11,13,15,18H,3-7,10H2,1-2H3
InChIKeyZKGFWVKNNJPJMU-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.67
Rot. Bonds3

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

3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine (PubChem CID 107560967) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine
PubChem CID107560967
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCC(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C16H24ClN/c1-3-18-15-7-5-4-6-13(10-15)14-9-8-12(2)16(17)11-14/h8-9,11,13,15,18H,3-7,10H2,1-2H3
InChIKeyZKGFWVKNNJPJMU-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560968
3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine
CID 107560962
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine
CID 104544363
3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine
CID 114520158
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine
CID 65105057
9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713793
3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
CID 114606245
3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine
CID 107360790
8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739467
N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine
CID 106681285
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine (CID 107560967) is 3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine is CCNC1CCCCC(c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine?
The InChIKey is ZKGFWVKNNJPJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-18-15-7-5-4-6-13(10-15)14-9-8-12(2)16(17)11-14/h8-9,11,13,15,18H,3-7,10H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine?
3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.67, 3 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-ethylcycloheptan-1-amine is sourced from PubChem (CID 107560967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).