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

C16H14FN — CID 62341214

IUPACN-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
SMILESFc1ccccc1CNCC#Cc1ccccc1
InChIInChI=1S/C16H14FN/c17-16-11-5-4-10-15(16)13-18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18H,12-13H2
InChIKeyLDOITAGQVVXUBP-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.97
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine (PubChem CID 62341214) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
PubChem CID62341214
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC NameN-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
SMILESFc1ccccc1CNCC#Cc1ccccc1
InChIInChI=1S/C16H14FN/c17-16-11-5-4-10-15(16)13-18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18H,12-13H2
InChIKeyLDOITAGQVVXUBP-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-2-(3-phenylprop-2-ynyl)benzene
CID 46894531
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine
CID 132551768
2-fluoro-N-(3-phenylprop-2-ynyl)aniline
CID 55060373
[(2-fluorophenyl)methylamino]methanethiol
CID 115227992
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 62340525
3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 62338817
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol
CID 57153727
N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757743

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine (CID 62341214) is N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine is Fc1ccccc1CNCC#Cc1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine?
The InChIKey is LDOITAGQVVXUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c17-16-11-5-4-10-15(16)13-18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18H,12-13H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine?
N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine has a molecular weight of 239.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine is sourced from PubChem (CID 62341214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).