N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine

C17H21FN2O — CID 66445906

IUPACN-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncccc1C)c1c(F)cccc1OC
InChIInChI=1S/C17H21FN2O/c1-4-19-15(11-14-12(2)7-6-10-20-14)17-13(18)8-5-9-16(17)21-3/h5-10,15,19H,4,11H2,1-3H3
InChIKeyPZMPRCWVFZDYIU-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.43
Rot. Bonds6

About N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine

N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66445906) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66445906
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncccc1C)c1c(F)cccc1OC
InChIInChI=1S/C17H21FN2O/c1-4-19-15(11-14-12(2)7-6-10-20-14)17-13(18)8-5-9-16(17)21-3/h5-10,15,19H,4,11H2,1-3H3
InChIKeyPZMPRCWVFZDYIU-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 81454498
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 65433838
N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447483
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine
CID 65433257
N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine
CID 66447078
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448055
1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448253
3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 79522491
1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348185
1-(3,4-dichlorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446099
N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031215

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine (CID 66445906) is N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine is CCNC(Cc1ncccc1C)c1c(F)cccc1OC.
What is the InChIKey of N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is PZMPRCWVFZDYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-4-19-15(11-14-12(2)7-6-10-20-14)17-13(18)8-5-9-16(17)21-3/h5-10,15,19H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 288.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66445906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).