3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine

C14H19Cl2N — CID 114281133

IUPAC3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-2-7-17-12-5-3-10(8-12)13-6-4-11(15)9-14(13)16/h4,6,9-10,12,17H,2-3,5,7-8H2,1H3
InChIKeyYXSCKTJXTXNCPY-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.63
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine

3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine (PubChem CID 114281133) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine
PubChem CID114281133
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-2-7-17-12-5-3-10(8-12)13-6-4-11(15)9-14(13)16/h4,6,9-10,12,17H,2-3,5,7-8H2,1H3
InChIKeyYXSCKTJXTXNCPY-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine
CID 64506168
7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417608
3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64723455
3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560968
3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 115477274
3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine
CID 103396741
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
CID 114606245
1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine
CID 60860793
3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine
CID 107360797
8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739651
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762949

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine (CID 114281133) is 3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine is CCCNC1CCC(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine?
The InChIKey is YXSCKTJXTXNCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-2-7-17-12-5-3-10(8-12)13-6-4-11(15)9-14(13)16/h4,6,9-10,12,17H,2-3,5,7-8H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine?
3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 114281133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).