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

C17H20ClNO — CID 17206556

IUPAC(E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCOc1ccccc1CNC/C=C/c1ccccc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-19-17-12-6-5-11-16(17)14-18-13-7-10-15-8-3-2-4-9-15;/h2-12,18H,13-14H2,1H3;1H/b10-7+;
InChIKeySVKPUFKLKNDCMH-HCUGZAAXSA-N
MW289.81 g/mol
LogP3.92
Rot. Bonds6

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

(E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 17206556) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID17206556
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCOc1ccccc1CNC/C=C/c1ccccc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-19-17-12-6-5-11-16(17)14-18-13-7-10-15-8-3-2-4-9-15;/h2-12,18H,13-14H2,1H3;1H/b10-7+;
InChIKeySVKPUFKLKNDCMH-HCUGZAAXSA-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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Related Compounds

N-[(2-methoxyphenyl)methyl]prop-2-en-1-amine
CID 4722320
N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine
CID 76940344
(Z)-4-[(2-methoxyphenyl)methylamino]-2-methylbut-2-enoic acid
CID 103231830
(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 122225733
(E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 17292721
N-[(4-methylphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 4723953
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222301
N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 93072425
(E)-3-phenyl-N-(pyridin-4-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 17292720
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride (CID 17206556) is (E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride is COc1ccccc1CNC/C=C/c1ccccc1.Cl.
What is the InChIKey of (E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is SVKPUFKLKNDCMH-HCUGZAAXSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-19-17-12-6-5-11-16(17)14-18-13-7-10-15-8-3-2-4-9-15;/h2-12,18H,13-14H2,1H3;1H/b10-7+;.
What are the key properties of (E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-N-[(2-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-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 17206556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).