1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine

C13H18FN — CID 105000986

IUPAC1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1cccc(C)c1F
InChIInChI=1S/C13H18FN/c1-4-9-15-12(5-2)11-8-6-7-10(3)13(11)14/h5-8,12,15H,2,4,9H2,1,3H3
InChIKeyYJGGGLHIMWIZOB-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.36
Rot. Bonds5

About 1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine

1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine (PubChem CID 105000986) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine
PubChem CID105000986
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1cccc(C)c1F
InChIInChI=1S/C13H18FN/c1-4-9-15-12(5-2)11-8-6-7-10(3)13(11)14/h5-8,12,15H,2,4,9H2,1,3H3
InChIKeyYJGGGLHIMWIZOB-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine
CID 81277074
1-(2,4-difluoro-5-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000633
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(2-fluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81477002
1-(4-bromo-2-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000814
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 104988970
N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81482203
N-[(2-chloro-5-fluorophenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105397260
N-[(3-chloro-4-methylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 107560858
1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine
CID 104805750

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine (CID 105000986) is 1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine is C=CC(NCCC)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine?
The InChIKey is YJGGGLHIMWIZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-4-9-15-12(5-2)11-8-6-7-10(3)13(11)14/h5-8,12,15H,2,4,9H2,1,3H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine?
1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105000986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).