(E)-2-methyl-4-phenylbut-2-en-1-amine

C11H15N — CID 10844713

IUPAC(E)-2-methyl-4-phenylbut-2-en-1-amine
SMILESC/C(=C\Cc1ccccc1)CN
InChIInChI=1S/C11H15N/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-7H,8-9,12H2,1H3/b10-7+
InChIKeyGVUUSGULTBEBMF-JXMROGBWSA-N
MW161.25 g/mol
LogP2.13
Rot. Bonds3

About (E)-2-methyl-4-phenylbut-2-en-1-amine

(E)-2-methyl-4-phenylbut-2-en-1-amine (PubChem CID 10844713) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (E)-2-methyl-4-phenylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-4-phenylbut-2-en-1-amine
PubChem CID10844713
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(E)-2-methyl-4-phenylbut-2-en-1-amine
SMILESC/C(=C\Cc1ccccc1)CN
InChIInChI=1S/C11H15N/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-7H,8-9,12H2,1H3/b10-7+
InChIKeyGVUUSGULTBEBMF-JXMROGBWSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.13
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 (E)-2-methyl-4-phenylbut-2-en-1-amine?
The IUPAC name of (E)-2-methyl-4-phenylbut-2-en-1-amine (CID 10844713) is (E)-2-methyl-4-phenylbut-2-en-1-amine.
What is the SMILES notation for (E)-2-methyl-4-phenylbut-2-en-1-amine?
The canonical SMILES for (E)-2-methyl-4-phenylbut-2-en-1-amine is C/C(=C\Cc1ccccc1)CN.
What is the InChIKey of (E)-2-methyl-4-phenylbut-2-en-1-amine?
The InChIKey is GVUUSGULTBEBMF-JXMROGBWSA-N. The full InChI is InChI=1S/C11H15N/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-7H,8-9,12H2,1H3/b10-7+.
What are the key properties of (E)-2-methyl-4-phenylbut-2-en-1-amine?
(E)-2-methyl-4-phenylbut-2-en-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-phenylbut-2-en-1-amine is sourced from PubChem (CID 10844713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).