N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine

C16H14FN — CID 132551768

IUPACN-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine
SMILESFc1ccc(C#CCNCc2ccccc2)cc1
InChIInChI=1S/C16H14FN/c17-16-10-8-14(9-11-16)7-4-12-18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,12-13H2
InChIKeyZMGAPDLJABKCDU-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.97
Rot. Bonds3

About N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine

N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine (PubChem CID 132551768) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine
PubChem CID132551768
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC NameN-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine
SMILESFc1ccc(C#CCNCc2ccccc2)cc1
InChIInChI=1S/C16H14FN/c17-16-10-8-14(9-11-16)7-4-12-18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,12-13H2
InChIKeyZMGAPDLJABKCDU-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'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62341214
3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 62338817
N-[[3-(methoxymethyl)phenyl]methyl]-3-phenylprop-2-yn-1-amine
CID 62339178
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81347915
3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
1-(4-ethynylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 141427580
N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 102502892
N-(3-phenylprop-2-ynyl)pent-2-en-1-amine
CID 146019761
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide
CID 90548192
N-[3-(4-fluorophenyl)prop-2-ynyl]-4-oxo-4-phenylbutanamide
CID 90548026
ethane;3-(4-fluorophenyl)prop-2-yn-1-ol
CID 163382607
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine (CID 132551768) is N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine is Fc1ccc(C#CCNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine?
The InChIKey is ZMGAPDLJABKCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c17-16-10-8-14(9-11-16)7-4-12-18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,12-13H2.
What are the key properties of N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine?
N-benzyl-3-(4-fluorophenyl)prop-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-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine is sourced from PubChem (CID 132551768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).