7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

C19H20ClN — CID 54307557

IUPAC7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCN1CCCC2C(c3ccccc3)c3cc(Cl)ccc3C21
InChIInChI=1S/C19H20ClN/c1-21-11-5-8-16-18(13-6-3-2-4-7-13)17-12-14(20)9-10-15(17)19(16)21/h2-4,6-7,9-10,12,16,18-19H,5,8,11H2,1H3
InChIKeySIPGBTKFHJUOAV-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.87
Rot. Bonds1

About 7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (PubChem CID 54307557) has the molecular formula C19H20ClN and a molecular weight of 297.83 g/mol. Its IUPAC name is 7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
PubChem CID54307557
Molecular FormulaC19H20ClN
Molecular Weight297.83 g/mol
Exact Mass297.13
IUPAC Name7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCN1CCCC2C(c3ccccc3)c3cc(Cl)ccc3C21
InChIInChI=1S/C19H20ClN/c1-21-11-5-8-16-18(13-6-3-2-4-7-13)17-12-14(20)9-10-15(17)19(16)21/h2-4,6-7,9-10,12,16,18-19H,5,8,11H2,1H3
InChIKeySIPGBTKFHJUOAV-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine with MolForge

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Related Compounds

Zicronapine
CID 11465618
Indatraline hydrochloride
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1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
CID 3065151
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (+)-
CID 3065150
3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
CID 3020938
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CID 9796539
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride
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4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10809333
9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6-methyl-6,9-diaza-spiro[4.5]decane
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CID 11794473
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isopropyl-2,2-dimethyl-piperazine
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[3-(4-Chloro-phenyl)-indan-1-yl]-methyl-amine
CID 13543806

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The IUPAC name of 7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (CID 54307557) is 7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.
What is the SMILES notation for 7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The canonical SMILES for 7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is CN1CCCC2C(c3ccccc3)c3cc(Cl)ccc3C21.
What is the InChIKey of 7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The InChIKey is SIPGBTKFHJUOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN/c1-21-11-5-8-16-18(13-6-3-2-4-7-13)17-12-14(20)9-10-15(17)19(16)21/h2-4,6-7,9-10,12,16,18-19H,5,8,11H2,1H3.
What are the key properties of 7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine has a molecular weight of 297.83 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is sourced from PubChem (CID 54307557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).