1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine

C16H19FN2O — CID 60903726

IUPAC1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCOc1ccc(C(C)NCCc2ccncc2)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-12(15-4-3-14(20-2)11-16(15)17)19-10-7-13-5-8-18-9-6-13/h3-6,8-9,11-12,19H,7,10H2,1-2H3
InChIKeyDUZLRMMUQCVFDM-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.12
Rot. Bonds6

About 1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine

1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine (PubChem CID 60903726) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
PubChem CID60903726
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCOc1ccc(C(C)NCCc2ccncc2)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-12(15-4-3-14(20-2)11-16(15)17)19-10-7-13-5-8-18-9-6-13/h3-6,8-9,11-12,19H,7,10H2,1-2H3
InChIKeyDUZLRMMUQCVFDM-UHFFFAOYSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43767010
5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 60903278
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 82964700
1-(2-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 103397475
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073
5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 63068848
4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906152
N'-butan-2-yl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103780751
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine (CID 60903726) is 1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine is COc1ccc(C(C)NCCc2ccncc2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The InChIKey is DUZLRMMUQCVFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-12(15-4-3-14(20-2)11-16(15)17)19-10-7-13-5-8-18-9-6-13/h3-6,8-9,11-12,19H,7,10H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine has a molecular weight of 274.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine is sourced from PubChem (CID 60903726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).