2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C17H19NO — CID 10538832

IUPAC2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESCOc1cccc(-c2ccc3c(n2)CCCCC3)c1
InChIInChI=1S/C17H19NO/c1-19-15-8-5-7-14(12-15)17-11-10-13-6-3-2-4-9-16(13)18-17/h5,7-8,10-12H,2-4,6,9H2,1H3
InChIKeyABNHIQRZXJLRGE-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.03
Rot. Bonds2

About 2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 10538832) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID10538832
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESCOc1cccc(-c2ccc3c(n2)CCCCC3)c1
InChIInChI=1S/C17H19NO/c1-19-15-8-5-7-14(12-15)17-11-10-13-6-3-2-4-9-16(13)18-17/h5,7-8,10-12H,2-4,6,9H2,1H3
InChIKeyABNHIQRZXJLRGE-UHFFFAOYSA-N
XLogP4.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-3-yl-5,6,7,8-tetrahydroquinoline
CID 59083928
6-bromo-2-(3-methoxyphenyl)quinoline
CID 53443478
1-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]ethanamine
CID 82452985
2-methoxy-5,6,7,8-tetrahydroquinoline
CID 18180283
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62009055
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
[2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]hydrazine
CID 82270516
2,3-bis(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 102200708
6-ethyl-2-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-quinolin-5-ol
CID 174524217
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 10538832) is 2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is COc1cccc(-c2ccc3c(n2)CCCCC3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is ABNHIQRZXJLRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-15-8-5-7-14(12-15)17-11-10-13-6-3-2-4-9-16(13)18-17/h5,7-8,10-12H,2-4,6,9H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 253.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 10538832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).