N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine

C20H22FN3 — CID 165377973

IUPACN-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine
SMILESCC(Cc1ccc2nccnc2c1)NCCCc1ccc(F)cc1
InChIInChI=1S/C20H22FN3/c1-15(22-10-2-3-16-4-7-18(21)8-5-16)13-17-6-9-19-20(14-17)24-12-11-23-19/h4-9,11-12,14-15,22H,2-3,10,13H2,1H3
InChIKeyRUPPDUVCYLNNGQ-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.92
Rot. Bonds7

About N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine

N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine (PubChem CID 165377973) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine
PubChem CID165377973
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC NameN-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine
SMILESCC(Cc1ccc2nccnc2c1)NCCCc1ccc(F)cc1
InChIInChI=1S/C20H22FN3/c1-15(22-10-2-3-16-4-7-18(21)8-5-16)13-17-6-9-19-20(14-17)24-12-11-23-19/h4-9,11-12,14-15,22H,2-3,10,13H2,1H3
InChIKeyRUPPDUVCYLNNGQ-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
CID 165377968
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
CID 155119456
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-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
N-[3-(4-tert-butylphenyl)propyl]-1-(3,4-difluorophenyl)propan-2-amine
CID 165377963
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
1-quinoxalin-6-ylpropan-2-amine
CID 55253948
(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
CID 97229635
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine (CID 165377973) is N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine is CC(Cc1ccc2nccnc2c1)NCCCc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine?
The InChIKey is RUPPDUVCYLNNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-15(22-10-2-3-16-4-7-18(21)8-5-16)13-17-6-9-19-20(14-17)24-12-11-23-19/h4-9,11-12,14-15,22H,2-3,10,13H2,1H3.
What are the key properties of N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine?
N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine has a molecular weight of 323.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine is sourced from PubChem (CID 165377973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).