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

C18H22FN — CID 115592301

IUPAC1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCCCc1ccccc1
InChIInChI=1S/C18H22FN/c1-15(14-17-11-5-6-12-18(17)19)20-13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,15,20H,7,10,13-14H2,1H3
InChIKeyBOAXDCDWRQZBGF-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.98
Rot. Bonds7

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

1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine (PubChem CID 115592301) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
PubChem CID115592301
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCCCc1ccccc1
InChIInChI=1S/C18H22FN/c1-15(14-17-11-5-6-12-18(17)19)20-13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,15,20H,7,10,13-14H2,1H3
InChIKeyBOAXDCDWRQZBGF-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
CID 174848897
4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
CID 114829509
N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
CID 102612376
N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine
CID 43101828
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
CID 115591783
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 114830878
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine (CID 115592301) is 1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine is CC(Cc1ccccc1F)NCCCc1ccccc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine?
The InChIKey is BOAXDCDWRQZBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-15(14-17-11-5-6-12-18(17)19)20-13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,15,20H,7,10,13-14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine?
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine is sourced from PubChem (CID 115592301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).