3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine

C14H20ClNO — CID 79697517

IUPAC3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(c2ccc(Cl)c(OC)c2)C1C
InChIInChI=1S/C14H20ClNO/c1-9-11(5-7-13(9)16-2)10-4-6-12(15)14(8-10)17-3/h4,6,8-9,11,13,16H,5,7H2,1-3H3
InChIKeyZFTRRDUIXLFXJT-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.45
Rot. Bonds3

About 3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine

3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine (PubChem CID 79697517) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
PubChem CID79697517
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(c2ccc(Cl)c(OC)c2)C1C
InChIInChI=1S/C14H20ClNO/c1-9-11(5-7-13(9)16-2)10-4-6-12(15)14(8-10)17-3/h4,6,8-9,11,13,16H,5,7H2,1-3H3
InChIKeyZFTRRDUIXLFXJT-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine (CID 79697517) is 3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine is CNC1CCC(c2ccc(Cl)c(OC)c2)C1C.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
The InChIKey is ZFTRRDUIXLFXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-11(5-7-13(9)16-2)10-4-6-12(15)14(8-10)17-3/h4,6,8-9,11,13,16H,5,7H2,1-3H3.
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine?
3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79697517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).