N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride

C24H26ClNO — CID 90041626

IUPACN-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride
SMILESCOc1ccccc1CCNCC=C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H25NO.ClH/c1-26-24-15-9-8-14-22(24)16-18-25-19-17-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2-15,17,25H,16,18-19H2,1H3;1H
InChIKeyRACMBHSQFURIPZ-UHFFFAOYSA-N
MW379.93 g/mol
LogP5.38
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride

N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride (PubChem CID 90041626) has the molecular formula C24H26ClNO and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride
PubChem CID90041626
Molecular FormulaC24H26ClNO
Molecular Weight379.93 g/mol
Exact Mass379.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride
SMILESCOc1ccccc1CCNCC=C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H25NO.ClH/c1-26-24-15-9-8-14-22(24)16-18-25-19-17-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2-15,17,25H,16,18-19H2,1H3;1H
InChIKeyRACMBHSQFURIPZ-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.93
LogP ≤ 55.38
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

1-[4,4-bis(4-methylphenyl)but-3-enyl]-2-methoxybenzene
CID 71377870
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CID 17207529
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
3-[2-(2-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225180
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790238
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride (CID 90041626) is N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride is COc1ccccc1CCNCC=C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride?
The InChIKey is RACMBHSQFURIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO.ClH/c1-26-24-15-9-8-14-22(24)16-18-25-19-17-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2-15,17,25H,16,18-19H2,1H3;1H.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride?
N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 90041626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).