4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride

C20H26ClN — CID 69400003

IUPAC4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride
SMILESCl.NCCCCC1(c2ccc(-c3ccccc3)cc2)CCC1
InChIInChI=1S/C20H25N.ClH/c21-16-5-4-13-20(14-6-15-20)19-11-9-18(10-12-19)17-7-2-1-3-8-17;/h1-3,7-12H,4-6,13-16,21H2;1H
InChIKeyXUDMQBOXYIYYER-UHFFFAOYSA-N
MW315.89 g/mol
LogP5.33
Rot. Bonds6

About 4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride

4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride (PubChem CID 69400003) has the molecular formula C20H26ClN and a molecular weight of 315.89 g/mol. Its IUPAC name is 4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride
PubChem CID69400003
Molecular FormulaC20H26ClN
Molecular Weight315.89 g/mol
Exact Mass315.18
IUPAC Name4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride
SMILESCl.NCCCCC1(c2ccc(-c3ccccc3)cc2)CCC1
InChIInChI=1S/C20H25N.ClH/c21-16-5-4-13-20(14-6-15-20)19-11-9-18(10-12-19)17-7-2-1-3-8-17;/h1-3,7-12H,4-6,13-16,21H2;1H
InChIKeyXUDMQBOXYIYYER-UHFFFAOYSA-N
XLogP5.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.89
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride?
The IUPAC name of 4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride (CID 69400003) is 4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride.
What is the SMILES notation for 4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride?
The canonical SMILES for 4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride is Cl.NCCCCC1(c2ccc(-c3ccccc3)cc2)CCC1.
What is the InChIKey of 4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride?
The InChIKey is XUDMQBOXYIYYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N.ClH/c21-16-5-4-13-20(14-6-15-20)19-11-9-18(10-12-19)17-7-2-1-3-8-17;/h1-3,7-12H,4-6,13-16,21H2;1H.
What are the key properties of 4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride?
4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride has a molecular weight of 315.89 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-phenylphenyl)cyclobutyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 69400003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).