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

C10H13N — CID 6387604

IUPAC(E)-N-methyl-3-phenylprop-2-en-1-amine
SMILESCNC/C=C/c1ccccc1
InChIInChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8,11H,9H2,1H3/b8-5+
InChIKeyRHPMSSCVPPONDM-VMPITWQZSA-N
MW147.22 g/mol
LogP1.92
Rot. Bonds3

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

(E)-N-methyl-3-phenylprop-2-en-1-amine (PubChem CID 6387604) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (E)-N-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-3-phenylprop-2-en-1-amine
PubChem CID6387604
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(E)-N-methyl-3-phenylprop-2-en-1-amine
SMILESCNC/C=C/c1ccccc1
InChIInChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8,11H,9H2,1H3/b8-5+
InChIKeyRHPMSSCVPPONDM-VMPITWQZSA-N
XLogP1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-methyl-3-phenylprop-2-en-1-amine (CID 6387604) is (E)-N-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-3-phenylprop-2-en-1-amine is CNC/C=C/c1ccccc1.
What is the InChIKey of (E)-N-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is RHPMSSCVPPONDM-VMPITWQZSA-N. The full InChI is InChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8,11H,9H2,1H3/b8-5+.
What are the key properties of (E)-N-methyl-3-phenylprop-2-en-1-amine?
(E)-N-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 147.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 6387604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).