N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine

C18H23FN2 — CID 115938518

IUPACN-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCc1ccc(C(C)NC(CC)c2ccc(F)cn2)cc1
InChIInChI=1S/C18H23FN2/c1-4-14-6-8-15(9-7-14)13(3)21-17(5-2)18-11-10-16(19)12-20-18/h6-13,17,21H,4-5H2,1-3H3
InChIKeySVFQNEOVWDCRPX-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.59
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine

N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 115938518) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID115938518
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCc1ccc(C(C)NC(CC)c2ccc(F)cn2)cc1
InChIInChI=1S/C18H23FN2/c1-4-14-6-8-15(9-7-14)13(3)21-17(5-2)18-11-10-16(19)12-20-18/h6-13,17,21H,4-5H2,1-3H3
InChIKeySVFQNEOVWDCRPX-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 114158466
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103936838
1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115938648
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
CID 115938566
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 115938518) is N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine is CCc1ccc(C(C)NC(CC)c2ccc(F)cn2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is SVFQNEOVWDCRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-14-6-8-15(9-7-14)13(3)21-17(5-2)18-11-10-16(19)12-20-18/h6-13,17,21H,4-5H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 286.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 115938518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).