1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine

C15H17FN2O — CID 112695110

IUPAC1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1ccncc1
InChIInChI=1S/C15H17FN2O/c1-11(18-10-12-6-8-17-9-7-12)15-13(16)4-3-5-14(15)19-2/h3-9,11,18H,10H2,1-2H3
InChIKeyVULQFQDDUSIXMW-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.08
Rot. Bonds5

About 1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine

1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 112695110) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID112695110
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1ccncc1
InChIInChI=1S/C15H17FN2O/c1-11(18-10-12-6-8-17-9-7-12)15-13(16)4-3-5-14(15)19-2/h3-9,11,18H,10H2,1-2H3
InChIKeyVULQFQDDUSIXMW-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
N-[(3,4-difluorophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655779
N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655771
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895281
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 112695118
3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 96565783
3-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 71867837
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine (CID 112695110) is 1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine is COc1cccc(F)c1C(C)NCc1ccncc1.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is VULQFQDDUSIXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(18-10-12-6-8-17-9-7-12)15-13(16)4-3-5-14(15)19-2/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine?
1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 260.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 112695110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).