3-(2-chlorophenyl)pentan-3-amine

C11H16ClN — CID 61029804

IUPAC3-(2-chlorophenyl)pentan-3-amine
SMILESCCC(N)(CC)c1ccccc1Cl
InChIInChI=1S/C11H16ClN/c1-3-11(13,4-2)9-7-5-6-8-10(9)12/h5-8H,3-4,13H2,1-2H3
InChIKeyGAHYLJDHDGZOHA-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.31
Rot. Bonds3

About 3-(2-chlorophenyl)pentan-3-amine

3-(2-chlorophenyl)pentan-3-amine (PubChem CID 61029804) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)pentan-3-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)pentan-3-amine
PubChem CID61029804
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name3-(2-chlorophenyl)pentan-3-amine
SMILESCCC(N)(CC)c1ccccc1Cl
InChIInChI=1S/C11H16ClN/c1-3-11(13,4-2)9-7-5-6-8-10(9)12/h5-8H,3-4,13H2,1-2H3
InChIKeyGAHYLJDHDGZOHA-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)pentan-3-amine?
The IUPAC name of 3-(2-chlorophenyl)pentan-3-amine (CID 61029804) is 3-(2-chlorophenyl)pentan-3-amine.
What is the SMILES notation for 3-(2-chlorophenyl)pentan-3-amine?
The canonical SMILES for 3-(2-chlorophenyl)pentan-3-amine is CCC(N)(CC)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)pentan-3-amine?
The InChIKey is GAHYLJDHDGZOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-3-11(13,4-2)9-7-5-6-8-10(9)12/h5-8H,3-4,13H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)pentan-3-amine?
3-(2-chlorophenyl)pentan-3-amine has a molecular weight of 197.71 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)pentan-3-amine is sourced from PubChem (CID 61029804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).