(E)-4-(4-phenylphenyl)but-3-en-2-amine

C16H17N — CID 83350140

IUPAC(E)-4-(4-phenylphenyl)but-3-en-2-amine
SMILESCC(N)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17N/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h2-13H,17H2,1H3/b8-7+
InChIKeyVXMTUNNEQDZAIU-BQYQJAHWSA-N
MW223.32 g/mol
LogP3.71
Rot. Bonds3

About (E)-4-(4-phenylphenyl)but-3-en-2-amine

(E)-4-(4-phenylphenyl)but-3-en-2-amine (PubChem CID 83350140) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (E)-4-(4-phenylphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(4-phenylphenyl)but-3-en-2-amine
PubChem CID83350140
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(E)-4-(4-phenylphenyl)but-3-en-2-amine
SMILESCC(N)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17N/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h2-13H,17H2,1H3/b8-7+
InChIKeyVXMTUNNEQDZAIU-BQYQJAHWSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-phenylphenyl)but-3-en-2-amine?
The IUPAC name of (E)-4-(4-phenylphenyl)but-3-en-2-amine (CID 83350140) is (E)-4-(4-phenylphenyl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(4-phenylphenyl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(4-phenylphenyl)but-3-en-2-amine is CC(N)/C=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-4-(4-phenylphenyl)but-3-en-2-amine?
The InChIKey is VXMTUNNEQDZAIU-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H17N/c1-13(17)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h2-13H,17H2,1H3/b8-7+.
What are the key properties of (E)-4-(4-phenylphenyl)but-3-en-2-amine?
(E)-4-(4-phenylphenyl)but-3-en-2-amine has a molecular weight of 223.32 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-phenylphenyl)but-3-en-2-amine is sourced from PubChem (CID 83350140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).