4-(2-chlorophenyl)butan-2-amine

C10H14ClN — CID 6486733

IUPAC4-(2-chlorophenyl)butan-2-amine
SMILESCC(N)CCc1ccccc1Cl
InChIInChI=1S/C10H14ClN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,6-7,12H2,1H3
InChIKeyJPYONMJJWKTSBP-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.62
Rot. Bonds3

About 4-(2-chlorophenyl)butan-2-amine

4-(2-chlorophenyl)butan-2-amine (PubChem CID 6486733) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 4-(2-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)butan-2-amine
PubChem CID6486733
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name4-(2-chlorophenyl)butan-2-amine
SMILESCC(N)CCc1ccccc1Cl
InChIInChI=1S/C10H14ClN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,6-7,12H2,1H3
InChIKeyJPYONMJJWKTSBP-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)butan-2-amine?
The IUPAC name of 4-(2-chlorophenyl)butan-2-amine (CID 6486733) is 4-(2-chlorophenyl)butan-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)butan-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)butan-2-amine is CC(N)CCc1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)butan-2-amine?
The InChIKey is JPYONMJJWKTSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 4-(2-chlorophenyl)butan-2-amine?
4-(2-chlorophenyl)butan-2-amine has a molecular weight of 183.68 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)butan-2-amine is sourced from PubChem (CID 6486733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).