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

C17H26ClN — CID 107560968

IUPAC3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C17H26ClN/c1-3-10-19-16-7-5-4-6-14(11-16)15-9-8-13(2)17(18)12-15/h8-9,12,14,16,19H,3-7,10-11H2,1-2H3
InChIKeyASDLERMZLXCKAZ-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.06
Rot. Bonds4

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

3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine (PubChem CID 107560968) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
PubChem CID107560968
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C17H26ClN/c1-3-10-19-16-7-5-4-6-14(11-16)15-9-8-13(2)17(18)12-15/h8-9,12,14,16,19H,3-7,10-11H2,1-2H3
InChIKeyASDLERMZLXCKAZ-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.86
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine
CID 107560967
3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine
CID 107560962
3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
CID 114606245
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine
CID 107360797
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine
CID 114281133
3-(4-methyl-3-pyridinyl)-N-propylcyclohexan-1-amine
CID 66272337
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine
CID 104544359
(1R,5S)-3-(3-chloro-4-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 124522674
3-(3-fluoro-4-methylphenyl)-N-methylcyclohexan-1-amine
CID 107129420
N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine
CID 107561131

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine (CID 107560968) is 3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine is CCCNC1CCCCC(c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine?
The InChIKey is ASDLERMZLXCKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-3-10-19-16-7-5-4-6-14(11-16)15-9-8-13(2)17(18)12-15/h8-9,12,14,16,19H,3-7,10-11H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine?
3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 5.06, 4 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-propylcycloheptan-1-amine is sourced from PubChem (CID 107560968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).