N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine

C23H22FN — CID 15536548

IUPACN,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine
SMILESC=C(CN(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN/c1-19(22-12-14-23(24)15-13-22)16-25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-15H,1,16-18H2
InChIKeyRCQOGLDWENIBIC-UHFFFAOYSA-N
MW331.43 g/mol
LogP5.54
Rot. Bonds7

About N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine

N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine (PubChem CID 15536548) has the molecular formula C23H22FN and a molecular weight of 331.43 g/mol. Its IUPAC name is N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine
PubChem CID15536548
Molecular FormulaC23H22FN
Molecular Weight331.43 g/mol
Exact Mass331.17
IUPAC NameN,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine
SMILESC=C(CN(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN/c1-19(22-12-14-23(24)15-13-22)16-25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-15H,1,16-18H2
InChIKeyRCQOGLDWENIBIC-UHFFFAOYSA-N
XLogP5.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.43
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-1-[2-(4-fluorophenyl)prop-2-enyl]hydrazine;hydrochloride
CID 11687918
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 60649817
2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62114939
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 18333856
N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine
CID 18333919
1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 11694212
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
3-[benzyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82327653
1-ethyl-1-[2-(4-fluorophenyl)prop-2-enyl]hydrazine
CID 11550408
(Z)-N-benzyl-N-butyl-5-(4-fluorophenyl)-2-methylidenepent-3-en-1-amine
CID 155405754

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine?
The IUPAC name of N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine (CID 15536548) is N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine?
The canonical SMILES for N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine is C=C(CN(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine?
The InChIKey is RCQOGLDWENIBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN/c1-19(22-12-14-23(24)15-13-22)16-25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-15H,1,16-18H2.
What are the key properties of N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine?
N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine has a molecular weight of 331.43 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 15536548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).