N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine

C14H15FN2O2 — CID 103825857

IUPACN-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
SMILESCOc1cccc(CNc2ccc(F)nc2)c1OC
InChIInChI=1S/C14H15FN2O2/c1-18-12-5-3-4-10(14(12)19-2)8-16-11-6-7-13(15)17-9-11/h3-7,9,16H,8H2,1-2H3
InChIKeyMKXFMXOEGGEKOA-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.85
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine

N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine (PubChem CID 103825857) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
PubChem CID103825857
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
SMILESCOc1cccc(CNc2ccc(F)nc2)c1OC
InChIInChI=1S/C14H15FN2O2/c1-18-12-5-3-4-10(14(12)19-2)8-16-11-6-7-13(15)17-9-11/h3-7,9,16H,8H2,1-2H3
InChIKeyMKXFMXOEGGEKOA-UHFFFAOYSA-N
XLogP2.85
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818353
N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22663940
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
2-bromo-6-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103934212
6-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851492
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypyridin-3-amine
CID 75430755
6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 75435934
N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
CID 18778335
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine (CID 103825857) is N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine is COc1cccc(CNc2ccc(F)nc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine?
The InChIKey is MKXFMXOEGGEKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-18-12-5-3-4-10(14(12)19-2)8-16-11-6-7-13(15)17-9-11/h3-7,9,16H,8H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine?
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine has a molecular weight of 262.28 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine is sourced from PubChem (CID 103825857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).