N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine

C13H16FN — CID 114871834

IUPACN-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
SMILESCC#CCNC(CC)c1cccc(F)c1
InChIInChI=1S/C13H16FN/c1-3-5-9-15-13(4-2)11-7-6-8-12(14)10-11/h6-8,10,13,15H,4,9H2,1-2H3
InChIKeyQVNRLGIDBWCZMD-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.89
Rot. Bonds4

About N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine

N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine (PubChem CID 114871834) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
PubChem CID114871834
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC NameN-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
SMILESCC#CCNC(CC)c1cccc(F)c1
InChIInChI=1S/C13H16FN/c1-3-5-9-15-13(4-2)11-7-6-8-12(14)10-11/h6-8,10,13,15H,4,9H2,1-2H3
InChIKeyQVNRLGIDBWCZMD-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
N-[1-(3-bromophenyl)propyl]but-2-yn-1-amine
CID 115897043
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129
3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
CID 114871634
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
CID 103522681
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438
1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 114871638
N-ethoxy-1-(3-fluorophenyl)propan-1-amine
CID 114871757

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine (CID 114871834) is N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine is CC#CCNC(CC)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine?
The InChIKey is QVNRLGIDBWCZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-3-5-9-15-13(4-2)11-7-6-8-12(14)10-11/h6-8,10,13,15H,4,9H2,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine?
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine has a molecular weight of 205.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine is sourced from PubChem (CID 114871834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).