1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine

C16H19FN2 — CID 115709037

IUPAC1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCCc1cccnc1
InChIInChI=1S/C16H19FN2/c1-13(10-15-4-2-6-16(17)11-15)19-9-7-14-5-3-8-18-12-14/h2-6,8,11-13,19H,7,9-10H2,1H3
InChIKeyCKUPSSZHUNLQKG-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.98
Rot. Bonds6

About 1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine

1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine (PubChem CID 115709037) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
PubChem CID115709037
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCCc1cccnc1
InChIInChI=1S/C16H19FN2/c1-13(10-15-4-2-6-16(17)11-15)19-9-7-14-5-3-8-18-12-14/h2-6,8,11-13,19H,7,9-10H2,1H3
InChIKeyCKUPSSZHUNLQKG-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913072
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
1-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 103901593
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 113349094
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
N-(2-pyridin-3-ylethyl)octan-2-amine
CID 60914592
1-cyclobutyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709042
1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 63264733

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine (CID 115709037) is 1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine is CC(Cc1cccc(F)c1)NCCc1cccnc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine?
The InChIKey is CKUPSSZHUNLQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-13(10-15-4-2-6-16(17)11-15)19-9-7-14-5-3-8-18-12-14/h2-6,8,11-13,19H,7,9-10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine?
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine has a molecular weight of 258.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine is sourced from PubChem (CID 115709037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).