6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine

C15H17FN2O3 — CID 60579306

IUPAC6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cc(CNc2cccc(F)n2)cc(OC)c1OC
InChIInChI=1S/C15H17FN2O3/c1-19-11-7-10(8-12(20-2)15(11)21-3)9-17-14-6-4-5-13(16)18-14/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyRTCNQOZNDWMKST-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.86
Rot. Bonds6

About 6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine

6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine (PubChem CID 60579306) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine
PubChem CID60579306
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cc(CNc2cccc(F)n2)cc(OC)c1OC
InChIInChI=1S/C15H17FN2O3/c1-19-11-7-10(8-12(20-2)15(11)21-3)9-17-14-6-4-5-13(16)18-14/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyRTCNQOZNDWMKST-UHFFFAOYSA-N
XLogP2.86
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyridin-2-amine
CID 116813065
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine
CID 113228051
N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine
CID 116519990
6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine
CID 116519992
3-fluoro-2-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 60579307
6-fluoro-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 115658515
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 775222
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-difluoroaniline
CID 61075731
4-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]benzaldehyde
CID 126471081
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine (CID 60579306) is 6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine is COc1cc(CNc2cccc(F)n2)cc(OC)c1OC.
What is the InChIKey of 6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is RTCNQOZNDWMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-19-11-7-10(8-12(20-2)15(11)21-3)9-17-14-6-4-5-13(16)18-14/h4-8H,9H2,1-3H3,(H,17,18).
What are the key properties of 6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine?
6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 292.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 60579306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).