3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine

C14H20ClN — CID 116538974

IUPAC3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClN/c1-14(8-7-12(10-14)16-2)9-11-5-3-4-6-13(11)15/h3-6,12,16H,7-10H2,1-2H3
InChIKeyRBLKHNYMVFPAGW-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.66
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine

3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine (PubChem CID 116538974) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
PubChem CID116538974
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClN/c1-14(8-7-12(10-14)16-2)9-11-5-3-4-6-13(11)15/h3-6,12,16H,7-10H2,1-2H3
InChIKeyRBLKHNYMVFPAGW-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine (CID 116538974) is 3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine is CNC1CCC(C)(Cc2ccccc2Cl)C1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The InChIKey is RBLKHNYMVFPAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-14(8-7-12(10-14)16-2)9-11-5-3-4-6-13(11)15/h3-6,12,16H,7-10H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 116538974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).