1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine

C14H13FN2O2 — CID 165410533

IUPAC1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine
SMILESCNCC1Oc2ncccc2Oc2cc(F)ccc21
InChIInChI=1S/C14H13FN2O2/c1-16-8-13-10-5-4-9(15)7-12(10)18-11-3-2-6-17-14(11)19-13/h2-7,13,16H,8H2,1H3
InChIKeyYLFRYQKJGNSCCH-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.67
Rot. Bonds2

About 1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine

1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine (PubChem CID 165410533) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine
PubChem CID165410533
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine
SMILESCNCC1Oc2ncccc2Oc2cc(F)ccc21
InChIInChI=1S/C14H13FN2O2/c1-16-8-13-10-5-4-9(15)7-12(10)18-11-3-2-6-17-14(11)19-13/h2-7,13,16H,8H2,1H3
InChIKeyYLFRYQKJGNSCCH-UHFFFAOYSA-N
XLogP2.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(benzyloxy)-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propan-2-amine
CID 10309109
5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoro-3-pyridin-3-ylpyridine
CID 11448307
7-[5-(2-Methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71455355
2-(2-Fluoro-6-methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44131466
N-[(2S)-4-(4-{[6-(propan-2-yloxy)pyridin-3-yl]oxy}phenyl)butan-2-yl]acetamide
CID 44554862
(2S)-2-[(S)-(2-ethoxyphenoxy)-(3-methyl-2-pyridinyl)methyl]morpholine
CID 44578969
N-(4-(4-(5-(cyclopentyloxy)pyridin-2-yloxy)phenyl)butan-2-yl)acetamide
CID 44608464
N-{3-[4-(5-Isopropoxypyridin-2-yloxy)phenyl]-1-methylpropyl}acetamide
CID 44608623
N-{3-[4-(6-Isopropoxypyridin-3-yloxy)phenyl]-1-methylpropyl}formamide
CID 49855399
Methyl {3-[4-(6-isopropoxypyridin-3-yloxy)phenyl]-1-methylpropyl}carbamate
CID 49855400
{3-[4-(6-Isopropoxypyridin-3-yloxy)phenyl]-1-methylpropyl}urea
CID 49855402
(S)-N-(4-(4-(5-isopropoxypyridin-2-yloxy)phenyl)butan-2-yl)acetamide
CID 49855598

Frequently Asked Questions

What is the IUPAC name of 1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine (CID 165410533) is 1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine is CNCC1Oc2ncccc2Oc2cc(F)ccc21.
What is the InChIKey of 1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine?
The InChIKey is YLFRYQKJGNSCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-16-8-13-10-5-4-9(15)7-12(10)18-11-3-2-6-17-14(11)19-13/h2-7,13,16H,8H2,1H3.
What are the key properties of 1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine?
1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine has a molecular weight of 260.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-fluoro-6H-[1,4]benzodioxepino[3,2-b]pyridin-6-yl)-N-methylmethanamine is sourced from PubChem (CID 165410533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).