(Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine

C17H19N — CID 145021228

IUPAC(Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine
SMILESCc1ccccc1-c1ccc(C/C=C\CN)cc1
InChIInChI=1S/C17H19N/c1-14-6-2-3-8-17(14)16-11-9-15(10-12-16)7-4-5-13-18/h2-6,8-12H,7,13,18H2,1H3/b5-4-
InChIKeyWVBKCPIRHICGLZ-PLNGDYQASA-N
MW237.35 g/mol
LogP3.72
Rot. Bonds4

About (Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine

(Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine (PubChem CID 145021228) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine
PubChem CID145021228
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine
SMILESCc1ccccc1-c1ccc(C/C=C\CN)cc1
InChIInChI=1S/C17H19N/c1-14-6-2-3-8-17(14)16-11-9-15(10-12-16)7-4-5-13-18/h2-6,8-12H,7,13,18H2,1H3/b5-4-
InChIKeyWVBKCPIRHICGLZ-PLNGDYQASA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine?
The IUPAC name of (Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine (CID 145021228) is (Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine.
What is the SMILES notation for (Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine?
The canonical SMILES for (Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine is Cc1ccccc1-c1ccc(C/C=C\CN)cc1.
What is the InChIKey of (Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine?
The InChIKey is WVBKCPIRHICGLZ-PLNGDYQASA-N. The full InChI is InChI=1S/C17H19N/c1-14-6-2-3-8-17(14)16-11-9-15(10-12-16)7-4-5-13-18/h2-6,8-12H,7,13,18H2,1H3/b5-4-.
What are the key properties of (Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine?
(Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine has a molecular weight of 237.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine is sourced from PubChem (CID 145021228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).