2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine

C17H26ClN — CID 107560907

IUPAC2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H26ClN/c1-3-11-19-17-8-6-4-5-7-15(17)14-10-9-13(2)16(18)12-14/h9-10,12,15,17,19H,3-8,11H2,1-2H3
InChIKeyZOYSQTNTYNLJNA-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.06
Rot. Bonds4

About 2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine

2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine (PubChem CID 107560907) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
PubChem CID107560907
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H26ClN/c1-3-11-19-17-8-6-4-5-7-15(17)14-10-9-13(2)16(18)12-14/h9-10,12,15,17,19H,3-8,11H2,1-2H3
InChIKeyZOYSQTNTYNLJNA-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

2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
CID 116506679
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
1-chloro-2-(3-chloro-4-methylphenyl)cycloheptane
CID 107560894
3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560968
[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine
CID 107561112
2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine
CID 104544128
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174
N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine
CID 107561131
2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine
CID 116545566
2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
CID 63510315
2-(3-chloro-4-methylphenyl)cyclopentan-1-amine
CID 103852573

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine (CID 107560907) is 2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine?
The InChIKey is ZOYSQTNTYNLJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-3-11-19-17-8-6-4-5-7-15(17)14-10-9-13(2)16(18)12-14/h9-10,12,15,17,19H,3-8,11H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine?
2-(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 2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 107560907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).