3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine

C14H16FN3O — CID 81304169

IUPAC3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1ccc(OC)cc1F)c1cccnc1N
InChIInChI=1S/C14H16FN3O/c1-17-13(11-4-3-7-18-14(11)16)10-6-5-9(19-2)8-12(10)15/h3-8,13,17H,1-2H3,(H2,16,18)
InChIKeyBZANECPGHSFSBB-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.12
Rot. Bonds4

About 3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine

3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine (PubChem CID 81304169) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine
PubChem CID81304169
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1ccc(OC)cc1F)c1cccnc1N
InChIInChI=1S/C14H16FN3O/c1-17-13(11-4-3-7-18-14(11)16)10-6-5-9(19-2)8-12(10)15/h3-8,13,17H,1-2H3,(H2,16,18)
InChIKeyBZANECPGHSFSBB-UHFFFAOYSA-N
XLogP2.12
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103444034
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine
CID 105190854
N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 103395517
1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 81300650
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43561402
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 102883527
1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43561417
1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481987
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 102883519
N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395826

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine (CID 81304169) is 3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine is CNC(c1ccc(OC)cc1F)c1cccnc1N.
What is the InChIKey of 3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine?
The InChIKey is BZANECPGHSFSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-17-13(11-4-3-7-18-14(11)16)10-6-5-9(19-2)8-12(10)15/h3-8,13,17H,1-2H3,(H2,16,18).
What are the key properties of 3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine?
3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine has a molecular weight of 261.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 81304169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).