3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine

C14H20ClN — CID 64908122

IUPAC3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(c2ccc(Cl)cc2)C1C
InChIInChI=1S/C14H20ClN/c1-3-16-14-9-8-13(10(14)2)11-4-6-12(15)7-5-11/h4-7,10,13-14,16H,3,8-9H2,1-2H3
InChIKeyPRQRTWPRXFTZRN-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.83
Rot. Bonds3

About 3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine

3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64908122) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine
PubChem CID64908122
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(c2ccc(Cl)cc2)C1C
InChIInChI=1S/C14H20ClN/c1-3-16-14-9-8-13(10(14)2)11-4-6-12(15)7-5-11/h4-7,10,13-14,16H,3,8-9H2,1-2H3
InChIKeyPRQRTWPRXFTZRN-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine (CID 64908122) is 3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine is CCNC1CCC(c2ccc(Cl)cc2)C1C.
What is the InChIKey of 3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is PRQRTWPRXFTZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-3-16-14-9-8-13(10(14)2)11-4-6-12(15)7-5-11/h4-7,10,13-14,16H,3,8-9H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine?
3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64908122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).