1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine

C18H22FN — CID 43096991

IUPAC1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
SMILESCCC(NCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-2-18(16-10-12-17(19)13-11-16)20-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18,20H,2,6,9,14H2,1H3
InChIKeyBNGNCKIWPIRKHC-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.50
Rot. Bonds7

About 1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine

1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine (PubChem CID 43096991) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
PubChem CID43096991
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
SMILESCCC(NCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-2-18(16-10-12-17(19)13-11-16)20-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18,20H,2,6,9,14H2,1H3
InChIKeyBNGNCKIWPIRKHC-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
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

1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
methyl 4-[1-(4-fluorophenyl)propylamino]butanoate
CID 54920511
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 28970329
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(3-phenylpropyl)acetamide
CID 9263745
3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline
CID 18334158
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine (CID 43096991) is 1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine is CCC(NCCCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine?
The InChIKey is BNGNCKIWPIRKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-2-18(16-10-12-17(19)13-11-16)20-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18,20H,2,6,9,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine?
1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine is sourced from PubChem (CID 43096991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).