(E)-3-phenylprop-2-en-1-amine

C9H11N — CID 6008559

IUPAC(E)-3-phenylprop-2-en-1-amine
SMILESNC/C=C/c1ccccc1
InChIInChI=1S/C9H11N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8,10H2/b7-4+
InChIKeyRDAFNSMYPSHCBK-QPJJXVBHSA-N
MW133.19 g/mol
LogP1.66
Rot. Bonds2

About (E)-3-phenylprop-2-en-1-amine

(E)-3-phenylprop-2-en-1-amine (PubChem CID 6008559) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (E)-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-phenylprop-2-en-1-amine
PubChem CID6008559
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(E)-3-phenylprop-2-en-1-amine
SMILESNC/C=C/c1ccccc1
InChIInChI=1S/C9H11N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8,10H2/b7-4+
InChIKeyRDAFNSMYPSHCBK-QPJJXVBHSA-N
XLogP1.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-3-phenylprop-2-en-1-amine (CID 6008559) is (E)-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-3-phenylprop-2-en-1-amine is NC/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenylprop-2-en-1-amine?
The InChIKey is RDAFNSMYPSHCBK-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H11N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8,10H2/b7-4+.
What are the key properties of (E)-3-phenylprop-2-en-1-amine?
(E)-3-phenylprop-2-en-1-amine has a molecular weight of 133.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 6008559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).