2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine

C15H17FN2O — CID 105122098

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCOc1ccc(CC(N)c2cccnc2C)cc1F
InChIInChI=1S/C15H17FN2O/c1-10-12(4-3-7-18-10)14(17)9-11-5-6-15(19-2)13(16)8-11/h3-8,14H,9,17H2,1-2H3
InChIKeyMPRJQJQSSKQEDU-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.78
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine

2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine (PubChem CID 105122098) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
PubChem CID105122098
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCOc1ccc(CC(N)c2cccnc2C)cc1F
InChIInChI=1S/C15H17FN2O/c1-10-12(4-3-7-18-10)14(17)9-11-5-6-15(19-2)13(16)8-11/h3-8,14H,9,17H2,1-2H3
InChIKeyMPRJQJQSSKQEDU-UHFFFAOYSA-N
XLogP2.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105084537
2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105110877
2-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782
1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829955
2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 63988949
1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829625
2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethanamine
CID 105122196
1-(2-bromo-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829871
1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123435
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 115829621
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine (CID 105122098) is 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine is COc1ccc(CC(N)c2cccnc2C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine?
The InChIKey is MPRJQJQSSKQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-12(4-3-7-18-10)14(17)9-11-5-6-15(19-2)13(16)8-11/h3-8,14H,9,17H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine?
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine has a molecular weight of 260.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105122098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).