1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine

C13H18FN — CID 81277074

IUPAC1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1ccc(F)cc1C
InChIInChI=1S/C13H18FN/c1-4-8-15-13(5-2)12-7-6-11(14)9-10(12)3/h5-7,9,13,15H,2,4,8H2,1,3H3
InChIKeyFIBCTOSSSGIFEQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine

1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine (PubChem CID 81277074) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine
PubChem CID81277074
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1ccc(F)cc1C
InChIInChI=1S/C13H18FN/c1-4-8-15-13(5-2)12-7-6-11(14)9-10(12)3/h5-7,9,13,15H,2,4,8H2,1,3H3
InChIKeyFIBCTOSSSGIFEQ-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-bromo-2-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000814
1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000986
1-(2,4-difluoro-5-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000633
2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide
CID 62134138
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
1-(2,5-dichlorophenyl)-N-propylprop-2-en-1-amine
CID 105001064
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81273573
1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836
N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268580
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 115852570
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268303

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine (CID 81277074) is 1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine is C=CC(NCCC)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine?
The InChIKey is FIBCTOSSSGIFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-4-8-15-13(5-2)12-7-6-11(14)9-10(12)3/h5-7,9,13,15H,2,4,8H2,1,3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine?
1-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 81277074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).