4-phenylbutan-2-amine;hydrochloride

C10H16ClN — CID 3056798

IUPAC4-phenylbutan-2-amine;hydrochloride
SMILESCC(N)CCc1ccccc1.Cl
InChIInChI=1S/C10H15N.ClH/c1-9(11)7-8-10-5-3-2-4-6-10;/h2-6,9H,7-8,11H2,1H3;1H
InChIKeyLVQSUJANKVLTKT-UHFFFAOYSA-N
MW185.70 g/mol
LogP2.39
Rot. Bonds3

About 4-phenylbutan-2-amine;hydrochloride

4-phenylbutan-2-amine;hydrochloride (PubChem CID 3056798) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is 4-phenylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name4-phenylbutan-2-amine;hydrochloride
PubChem CID3056798
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name4-phenylbutan-2-amine;hydrochloride
SMILESCC(N)CCc1ccccc1.Cl
InChIInChI=1S/C10H15N.ClH/c1-9(11)7-8-10-5-3-2-4-6-10;/h2-6,9H,7-8,11H2,1H3;1H
InChIKeyLVQSUJANKVLTKT-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenylbutan-2-amine;hydrochloride?
The IUPAC name of 4-phenylbutan-2-amine;hydrochloride (CID 3056798) is 4-phenylbutan-2-amine;hydrochloride.
What is the SMILES notation for 4-phenylbutan-2-amine;hydrochloride?
The canonical SMILES for 4-phenylbutan-2-amine;hydrochloride is CC(N)CCc1ccccc1.Cl.
What is the InChIKey of 4-phenylbutan-2-amine;hydrochloride?
The InChIKey is LVQSUJANKVLTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.ClH/c1-9(11)7-8-10-5-3-2-4-6-10;/h2-6,9H,7-8,11H2,1H3;1H.
What are the key properties of 4-phenylbutan-2-amine;hydrochloride?
4-phenylbutan-2-amine;hydrochloride has a molecular weight of 185.70 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbutan-2-amine;hydrochloride is sourced from PubChem (CID 3056798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).