2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine

C18H27NO — CID 10849883

IUPAC2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine
SMILESCOc1cccc(C2CCC3CCCCCC3N2C)c1
InChIInChI=1S/C18H27NO/c1-19-17-10-5-3-4-7-14(17)11-12-18(19)15-8-6-9-16(13-15)20-2/h6,8-9,13-14,17-18H,3-5,7,10-12H2,1-2H3
InChIKeyUPACRVWBHOEXRD-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.41
Rot. Bonds2

About 2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine

2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine (PubChem CID 10849883) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine
PubChem CID10849883
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine
SMILESCOc1cccc(C2CCC3CCCCCC3N2C)c1
InChIInChI=1S/C18H27NO/c1-19-17-10-5-3-4-7-14(17)11-12-18(19)15-8-6-9-16(13-15)20-2/h6,8-9,13-14,17-18H,3-5,7,10-12H2,1-2H3
InChIKeyUPACRVWBHOEXRD-UHFFFAOYSA-N
XLogP4.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine with MolForge

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Related Compounds

2-(3-methoxyphenyl)-1-methyl-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]pyrrole
CID 10753792
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CID 15456351
(3aS,4R,7aS)-4-(3-methoxyphenyl)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 154523461
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
CID 23261897
2-hydroxy-1-(3-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 67692830
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine?
The IUPAC name of 2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine (CID 10849883) is 2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine is COc1cccc(C2CCC3CCCCCC3N2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine?
The InChIKey is UPACRVWBHOEXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-19-17-10-5-3-4-7-14(17)11-12-18(19)15-8-6-9-16(13-15)20-2/h6,8-9,13-14,17-18H,3-5,7,10-12H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine?
2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine has a molecular weight of 273.42 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridine is sourced from PubChem (CID 10849883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).