2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine

C15H17FN2O — CID 116824754

IUPAC2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNCC(c1cccnc1)c1cc(F)ccc1OC
InChIInChI=1S/C15H17FN2O/c1-17-10-14(11-4-3-7-18-9-11)13-8-12(16)5-6-15(13)19-2/h3-9,14,17H,10H2,1-2H3
InChIKeyPCWZIJLSYRQHEK-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.58
Rot. Bonds5

About 2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine

2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine (PubChem CID 116824754) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
PubChem CID116824754
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNCC(c1cccnc1)c1cc(F)ccc1OC
InChIInChI=1S/C15H17FN2O/c1-17-10-14(11-4-3-7-18-9-11)13-8-12(16)5-6-15(13)19-2/h3-9,14,17H,10H2,1-2H3
InChIKeyPCWZIJLSYRQHEK-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-naphthalen-1-yl-2-pyridin-3-ylethanamine
CID 116824810
N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 68628785
N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine
CID 116824741
3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
CID 43380580
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine
CID 43485711
2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 116824806
1-[(5-fluoro-2-methoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 3942168
N-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 82537505
(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
CID 105176629
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 82769619
1-(3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065221
2-(3,4-dimethoxyphenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 60924306

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine (CID 116824754) is 2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine is CNCC(c1cccnc1)c1cc(F)ccc1OC.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine?
The InChIKey is PCWZIJLSYRQHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-17-10-14(11-4-3-7-18-9-11)13-8-12(16)5-6-15(13)19-2/h3-9,14,17H,10H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine?
2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine has a molecular weight of 260.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 116824754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).