4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline

C14H15FN2O — CID 56794159

IUPAC4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCOc1cc(F)ccc1N(C)Cc1ccccn1
InChIInChI=1S/C14H15FN2O/c1-17(10-12-5-3-4-8-16-12)13-7-6-11(15)9-14(13)18-2/h3-9H,10H2,1-2H3
InChIKeyDYLVIACYEMLLGW-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.87
Rot. Bonds4

About 4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline

4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline (PubChem CID 56794159) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline
PubChem CID56794159
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCOc1cc(F)ccc1N(C)Cc1ccccn1
InChIInChI=1S/C14H15FN2O/c1-17(10-12-5-3-4-8-16-12)13-7-6-11(15)9-14(13)18-2/h3-9H,10H2,1-2H3
InChIKeyDYLVIACYEMLLGW-UHFFFAOYSA-N
XLogP2.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline (CID 56794159) is 4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline is COc1cc(F)ccc1N(C)Cc1ccccn1.
What is the InChIKey of 4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is DYLVIACYEMLLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-17(10-12-5-3-4-8-16-12)13-7-6-11(15)9-14(13)18-2/h3-9H,10H2,1-2H3.
What are the key properties of 4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline?
4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 246.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 56794159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).