N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine

C15H22FN — CID 115890781

IUPACN-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCCCC1CC1
InChIInChI=1S/C15H22FN/c1-12(17-9-3-5-13-7-8-13)10-14-4-2-6-15(16)11-14/h2,4,6,11-13,17H,3,5,7-10H2,1H3
InChIKeyIAWIATIJVQMXSY-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.54
Rot. Bonds7

About N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine

N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine (PubChem CID 115890781) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
PubChem CID115890781
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCCCC1CC1
InChIInChI=1S/C15H22FN/c1-12(17-9-3-5-13-7-8-13)10-14-4-2-6-15(16)11-14/h2,4,6,11-13,17H,3,5,7-10H2,1H3
InChIKeyIAWIATIJVQMXSY-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719668
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 115894977
N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine
CID 113261405
N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 113349094
1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 103901403
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene
CID 54167085
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 115716338

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine (CID 115890781) is N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine is CC(Cc1cccc(F)c1)NCCCC1CC1.
What is the InChIKey of N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is IAWIATIJVQMXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-12(17-9-3-5-13-7-8-13)10-14-4-2-6-15(16)11-14/h2,4,6,11-13,17H,3,5,7-10H2,1H3.
What are the key properties of N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine?
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 115890781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).