N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine

C23H20FN — CID 102502892

IUPACN-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
SMILESFc1ccc(CN(CC#Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H20FN/c24-23-15-13-22(14-16-23)19-25(18-21-10-5-2-6-11-21)17-7-12-20-8-3-1-4-9-20/h1-6,8-11,13-16H,17-19H2
InChIKeyRAZHFVMVZFCSTP-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.88
Rot. Bonds5

About N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine

N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine (PubChem CID 102502892) has the molecular formula C23H20FN and a molecular weight of 329.42 g/mol. Its IUPAC name is N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
PubChem CID102502892
Molecular FormulaC23H20FN
Molecular Weight329.42 g/mol
Exact Mass329.16
IUPAC NameN-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
SMILESFc1ccc(CN(CC#Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H20FN/c24-23-15-13-22(14-16-23)19-25(18-21-10-5-2-6-11-21)17-7-12-20-8-3-1-4-9-20/h1-6,8-11,13-16H,17-19H2
InChIKeyRAZHFVMVZFCSTP-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
N'-benzyl-N'-(3-phenylprop-2-ynyl)propane-1,3-diamine
CID 107366878
N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine
CID 11155599
N-benzyl-N-(3-phenylprop-2-ynyl)carbamothioyl fluoride
CID 175700268
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
N-benzyl-N-[3-[4-[3-[benzyl(5-chloropentyl)amino]prop-1-ynyl]phenyl]prop-2-ynyl]-5-chloropentan-1-amine;dihydrochloride
CID 132930640
3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol
CID 139688349
3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine
CID 23911127
2-[benzyl-[3-(4-methoxyphenyl)prop-2-ynyl]amino]ethanol
CID 146163408
N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide
CID 169084149
N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine
CID 132551768
3-[benzyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82327653

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine?
The IUPAC name of N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine (CID 102502892) is N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine.
What is the SMILES notation for N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine?
The canonical SMILES for N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine is Fc1ccc(CN(CC#Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine?
The InChIKey is RAZHFVMVZFCSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN/c24-23-15-13-22(14-16-23)19-25(18-21-10-5-2-6-11-21)17-7-12-20-8-3-1-4-9-20/h1-6,8-11,13-16H,17-19H2.
What are the key properties of N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine?
N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine has a molecular weight of 329.42 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine is sourced from PubChem (CID 102502892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).