[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine

C14H15FN2O2 — CID 104738859

IUPAC[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)c(-c2ccncc2F)cc1OC
InChIInChI=1S/C14H15FN2O2/c1-18-13-5-9(7-16)11(6-14(13)19-2)10-3-4-17-8-12(10)15/h3-6,8H,7,16H2,1-2H3
InChIKeyNHCKNTUVJLLBLT-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.36
Rot. Bonds4

About [2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine

[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine (PubChem CID 104738859) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is [2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine
PubChem CID104738859
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)c(-c2ccncc2F)cc1OC
InChIInChI=1S/C14H15FN2O2/c1-18-13-5-9(7-16)11(6-14(13)19-2)10-3-4-17-8-12(10)15/h3-6,8H,7,16H2,1-2H3
InChIKeyNHCKNTUVJLLBLT-UHFFFAOYSA-N
XLogP2.36
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
CID 61075245
[2-(2-chloro-4,5-difluorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 107476915
[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61241607
3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine
CID 163311853
[2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 81047763
[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 81251189
[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
[2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 106882238
[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62548525
3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine
CID 115045042
[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62800398
[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 54980067

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine?
The IUPAC name of [2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine (CID 104738859) is [2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine.
What is the SMILES notation for [2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine?
The canonical SMILES for [2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine is COc1cc(CN)c(-c2ccncc2F)cc1OC.
What is the InChIKey of [2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine?
The InChIKey is NHCKNTUVJLLBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-18-13-5-9(7-16)11(6-14(13)19-2)10-3-4-17-8-12(10)15/h3-6,8H,7,16H2,1-2H3.
What are the key properties of [2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine?
[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine has a molecular weight of 262.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine is sourced from PubChem (CID 104738859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).