(E)-4-phenylbut-3-en-2-amine

C10H13N — CID 6442398

IUPAC(E)-4-phenylbut-3-en-2-amine
SMILESCC(N)/C=C/c1ccccc1
InChIInChI=1S/C10H13N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9H,11H2,1H3/b8-7+
InChIKeyQPVUUOXSCVQZQG-BQYQJAHWSA-N
MW147.22 g/mol
LogP2.05
Rot. Bonds2

About (E)-4-phenylbut-3-en-2-amine

(E)-4-phenylbut-3-en-2-amine (PubChem CID 6442398) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (E)-4-phenylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-phenylbut-3-en-2-amine
PubChem CID6442398
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(E)-4-phenylbut-3-en-2-amine
SMILESCC(N)/C=C/c1ccccc1
InChIInChI=1S/C10H13N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9H,11H2,1H3/b8-7+
InChIKeyQPVUUOXSCVQZQG-BQYQJAHWSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-phenylbut-3-en-2-amine?
The IUPAC name of (E)-4-phenylbut-3-en-2-amine (CID 6442398) is (E)-4-phenylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-phenylbut-3-en-2-amine?
The canonical SMILES for (E)-4-phenylbut-3-en-2-amine is CC(N)/C=C/c1ccccc1.
What is the InChIKey of (E)-4-phenylbut-3-en-2-amine?
The InChIKey is QPVUUOXSCVQZQG-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H13N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9H,11H2,1H3/b8-7+.
What are the key properties of (E)-4-phenylbut-3-en-2-amine?
(E)-4-phenylbut-3-en-2-amine has a molecular weight of 147.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenylbut-3-en-2-amine is sourced from PubChem (CID 6442398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).