3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine

C13H16FN — CID 67925323

IUPAC3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine
SMILESCC#CN(C)CCCc1cccc(F)c1
InChIInChI=1S/C13H16FN/c1-3-9-15(2)10-5-7-12-6-4-8-13(14)11-12/h4,6,8,11H,5,7,10H2,1-2H3
InChIKeyZLLGKWWOWMPBNE-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.67
Rot. Bonds4

About 3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine

3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine (PubChem CID 67925323) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine
PubChem CID67925323
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine
SMILESCC#CN(C)CCCc1cccc(F)c1
InChIInChI=1S/C13H16FN/c1-3-9-15(2)10-5-7-12-6-4-8-13(14)11-12/h4,6,8,11H,5,7,10H2,1-2H3
InChIKeyZLLGKWWOWMPBNE-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008924
acetylene;1-butyl-3-fluorobenzene
CID 142913636
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
4-[2-(3-fluorophenyl)ethyl-methylamino]butanenitrile
CID 115232077
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691
but-1-yne;1-fluoro-3-pentylbenzene
CID 174779976
3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866274
2-[[3-(3-fluorophenyl)propyl-methylamino]methyl]cyclopentan-1-ol
CID 110009639
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine (CID 67925323) is 3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine is CC#CN(C)CCCc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine?
The InChIKey is ZLLGKWWOWMPBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-3-9-15(2)10-5-7-12-6-4-8-13(14)11-12/h4,6,8,11H,5,7,10H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine?
3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine has a molecular weight of 205.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-methyl-N-prop-1-ynylpropan-1-amine is sourced from PubChem (CID 67925323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).