(E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride

C17H20ClNO — CID 6464138

IUPAC(E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCOc1ccc(CNC/C=C/c2ccccc2)cc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-19-17-11-9-16(10-12-17)14-18-13-5-8-15-6-3-2-4-7-15;/h2-12,18H,13-14H2,1H3;1H/b8-5+;
InChIKeyZCFJNZIWAPPATE-HAAWTFQLSA-N
MW289.81 g/mol
LogP3.92
Rot. Bonds6

About (E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride

(E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 6464138) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID6464138
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCOc1ccc(CNC/C=C/c2ccccc2)cc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-19-17-11-9-16(10-12-17)14-18-13-5-8-15-6-3-2-4-7-15;/h2-12,18H,13-14H2,1H3;1H/b8-5+;
InChIKeyZCFJNZIWAPPATE-HAAWTFQLSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride (CID 6464138) is (E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride is COc1ccc(CNC/C=C/c2ccccc2)cc1.Cl.
What is the InChIKey of (E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is ZCFJNZIWAPPATE-HAAWTFQLSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-19-17-11-9-16(10-12-17)14-18-13-5-8-15-6-3-2-4-7-15;/h2-12,18H,13-14H2,1H3;1H/b8-5+;.
What are the key properties of (E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 6464138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).