N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine

C15H23FN2O — CID 105038119

IUPACN-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)c1ccncc1F
InChIInChI=1S/C15H23FN2O/c1-2-18-15(13-8-9-17-11-14(13)16)7-6-12-5-3-4-10-19-12/h8-9,11-12,15,18H,2-7,10H2,1H3
InChIKeyXDRUZLRPBGLQTI-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.22
Rot. Bonds6

About N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine

N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 105038119) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine
PubChem CID105038119
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)c1ccncc1F
InChIInChI=1S/C15H23FN2O/c1-2-18-15(13-8-9-17-11-14(13)16)7-6-12-5-3-4-10-19-12/h8-9,11-12,15,18H,2-7,10H2,1H3
InChIKeyXDRUZLRPBGLQTI-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol
CID 115833989
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 115984984
N-ethyl-3-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 65164240
N-ethyl-3-(oxolan-2-yl)-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 65156525
N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine
CID 66447563
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164611
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
1-(3-fluoro-4-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 104737979

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine (CID 105038119) is N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine is CCNC(CCC1CCCCO1)c1ccncc1F.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is XDRUZLRPBGLQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-18-15(13-8-9-17-11-14(13)16)7-6-12-5-3-4-10-19-12/h8-9,11-12,15,18H,2-7,10H2,1H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine?
N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 266.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 105038119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).