N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine

C23H25FN2 — CID 155119456

IUPACN-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
SMILESCC(Cc1ccc(-c2cccnc2)cc1)NCCCc1ccc(F)cc1
InChIInChI=1S/C23H25FN2/c1-18(26-15-2-4-19-8-12-23(24)13-9-19)16-20-6-10-21(11-7-20)22-5-3-14-25-17-22/h3,5-14,17-18,26H,2,4,15-16H2,1H3
InChIKeyFQSYLJAGYIVZMC-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.04
Rot. Bonds8

About N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine

N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine (PubChem CID 155119456) has the molecular formula C23H25FN2 and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
PubChem CID155119456
Molecular FormulaC23H25FN2
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC NameN-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
SMILESCC(Cc1ccc(-c2cccnc2)cc1)NCCCc1ccc(F)cc1
InChIInChI=1S/C23H25FN2/c1-18(26-15-2-4-19-8-12-23(24)13-9-19)16-20-6-10-21(11-7-20)22-5-3-14-25-17-22/h3,5-14,17-18,26H,2,4,15-16H2,1H3
InChIKeyFQSYLJAGYIVZMC-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine
CID 155119438
N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
CID 165377968
N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine
CID 165377973
1-(4-fluorophenyl)-N-[3-(4-prop-2-enylphenyl)propyl]propan-2-amine;molecular hydrogen;hydrate
CID 170631487
N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide
CID 155119479
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
CID 97229635
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
CID 82540634
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine (CID 155119456) is N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine is CC(Cc1ccc(-c2cccnc2)cc1)NCCCc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine?
The InChIKey is FQSYLJAGYIVZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2/c1-18(26-15-2-4-19-8-12-23(24)13-9-19)16-20-6-10-21(11-7-20)22-5-3-14-25-17-22/h3,5-14,17-18,26H,2,4,15-16H2,1H3.
What are the key properties of N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine?
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine has a molecular weight of 348.47 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine is sourced from PubChem (CID 155119456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).