3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

C16H16FN3O — CID 43775876

IUPAC3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCOc1ccc(NCc2c(C)nc3ccccn23)cc1F
InChIInChI=1S/C16H16FN3O/c1-11-14(20-8-4-3-5-16(20)19-11)10-18-12-6-7-15(21-2)13(17)9-12/h3-9,18H,10H2,1-2H3
InChIKeyIYSQEVQIJVPZLB-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.40
Rot. Bonds4

About 3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (PubChem CID 43775876) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
PubChem CID43775876
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCOc1ccc(NCc2c(C)nc3ccccn23)cc1F
InChIInChI=1S/C16H16FN3O/c1-11-14(20-8-4-3-5-16(20)19-11)10-18-12-6-7-15(21-2)13(17)9-12/h3-9,18H,10H2,1-2H3
InChIKeyIYSQEVQIJVPZLB-UHFFFAOYSA-N
XLogP3.40
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43775875
2-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43763308
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 43760891
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-propan-2-ylaniline
CID 43760553
6-bromo-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-3-amine
CID 103934296
5-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-3-amine
CID 103823924
3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzamide
CID 43767579
2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43772487
4-ethoxy-3-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 115743258
3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 43380780
2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43759055
2-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43764503

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The IUPAC name of 3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (CID 43775876) is 3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is COc1ccc(NCc2c(C)nc3ccccn23)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The InChIKey is IYSQEVQIJVPZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-11-14(20-8-4-3-5-16(20)19-11)10-18-12-6-7-15(21-2)13(17)9-12/h3-9,18H,10H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline has a molecular weight of 285.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 43775876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).