N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride

C23H23ClFN — CID 67608371

IUPACN-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride
SMILESCl.Fc1cccc(CNCCC=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22FN.ClH/c24-22-14-7-9-19(17-22)18-25-16-8-15-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21;/h1-7,9-15,17,25H,8,16,18H2;1H
InChIKeyLBANGVRCZJLBGO-UHFFFAOYSA-N
MW367.90 g/mol
LogP5.86
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride

N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride (PubChem CID 67608371) has the molecular formula C23H23ClFN and a molecular weight of 367.90 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride
PubChem CID67608371
Molecular FormulaC23H23ClFN
Molecular Weight367.90 g/mol
Exact Mass367.15
IUPAC NameN-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride
SMILESCl.Fc1cccc(CNCCC=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22FN.ClH/c24-22-14-7-9-19(17-22)18-25-16-8-15-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21;/h1-7,9-15,17,25H,8,16,18H2;1H
InChIKeyLBANGVRCZJLBGO-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.90
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine
CID 86174000
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
N-[(3-fluorophenyl)methyl]hept-6-en-1-amine
CID 107006535
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
2-[(3-fluorophenyl)methylamino]acetaldehyde
CID 115222993
N-[(3-fluorophenyl)methyl]but-3-yn-1-amine
CID 63656043
4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine
CID 162202126
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599377
3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide
CID 77029790
methyl 3-[(3-fluorophenyl)methylamino]propanoate
CID 43088302
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride (CID 67608371) is N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride is Cl.Fc1cccc(CNCCC=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride?
The InChIKey is LBANGVRCZJLBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN.ClH/c24-22-14-7-9-19(17-22)18-25-16-8-15-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21;/h1-7,9-15,17,25H,8,16,18H2;1H.
What are the key properties of N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride?
N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride is sourced from PubChem (CID 67608371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).