4-(3-phenylphenyl)butan-1-amine

C16H19N — CID 117324209

IUPAC4-(3-phenylphenyl)butan-1-amine
SMILESNCCCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H19N/c17-12-5-4-7-14-8-6-11-16(13-14)15-9-2-1-3-10-15/h1-3,6,8-11,13H,4-5,7,12,17H2
InChIKeyKNBFBIJXFGOTDA-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.63
Rot. Bonds5

About 4-(3-phenylphenyl)butan-1-amine

4-(3-phenylphenyl)butan-1-amine (PubChem CID 117324209) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(3-phenylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-phenylphenyl)butan-1-amine
PubChem CID117324209
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4-(3-phenylphenyl)butan-1-amine
SMILESNCCCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H19N/c17-12-5-4-7-14-8-6-11-16(13-14)15-9-2-1-3-10-15/h1-3,6,8-11,13H,4-5,7,12,17H2
InChIKeyKNBFBIJXFGOTDA-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.63
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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Related Compounds

3-(3-phenylphenyl)propan-1-amine
CID 68886504
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
13-phenyltridecan-1-amine
CID 19801439
4-phenylbutan-1-amine;hydrochloride
CID 44630065
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
N-methyl-6-(3-phenylphenyl)hexan-1-amine
CID 142524763
1-(4-methylpentyl)-3-phenylbenzene
CID 19790542
benzene;3-phenylpropan-1-amine
CID 174865683
1-phenyl-3-propylbenzene
CID 4110465
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
6-(3-fluorophenyl)hexan-1-amine
CID 95437731

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)butan-1-amine?
The IUPAC name of 4-(3-phenylphenyl)butan-1-amine (CID 117324209) is 4-(3-phenylphenyl)butan-1-amine.
What is the SMILES notation for 4-(3-phenylphenyl)butan-1-amine?
The canonical SMILES for 4-(3-phenylphenyl)butan-1-amine is NCCCCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-(3-phenylphenyl)butan-1-amine?
The InChIKey is KNBFBIJXFGOTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c17-12-5-4-7-14-8-6-11-16(13-14)15-9-2-1-3-10-15/h1-3,6,8-11,13H,4-5,7,12,17H2.
What are the key properties of 4-(3-phenylphenyl)butan-1-amine?
4-(3-phenylphenyl)butan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)butan-1-amine is sourced from PubChem (CID 117324209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).