5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine

C15H20ClNO — CID 113425605

IUPAC5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine
SMILESCCNC1CCC(C)c2c3c(cc(Cl)c21)CCO3
InChIInChI=1S/C15H20ClNO/c1-3-17-12-5-4-9(2)13-14(12)11(16)8-10-6-7-18-15(10)13/h8-9,12,17H,3-7H2,1-2H3
InChIKeyFVUDGFUEDZMIQQ-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.82
Rot. Bonds2

About 5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine

5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine (PubChem CID 113425605) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine
PubChem CID113425605
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine
SMILESCCNC1CCC(C)c2c3c(cc(Cl)c21)CCO3
InChIInChI=1S/C15H20ClNO/c1-3-17-12-5-4-9(2)13-14(12)11(16)8-10-6-7-18-15(10)13/h8-9,12,17H,3-7H2,1-2H3
InChIKeyFVUDGFUEDZMIQQ-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine with MolForge

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Related Compounds

5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine
CID 113425600
6-bromo-N-ethyl-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
CID 115417591
7-bromo-N-ethyl-8-methyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine
CID 115417486
5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 43621790
6-bromo-5,8-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 107659779
6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
CID 115417500
N-ethyl-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417478
N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine
CID 113319273
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 83885677
5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine
CID 113403857
7-bromo-8-methyl-N-propyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine
CID 115417484
6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43512713

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine?
The IUPAC name of 5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine (CID 113425605) is 5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine.
What is the SMILES notation for 5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine?
The canonical SMILES for 5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine is CCNC1CCC(C)c2c3c(cc(Cl)c21)CCO3.
What is the InChIKey of 5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine?
The InChIKey is FVUDGFUEDZMIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-17-12-5-4-9(2)13-14(12)11(16)8-10-6-7-18-15(10)13/h8-9,12,17H,3-7H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine?
5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine has a molecular weight of 265.78 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine is sourced from PubChem (CID 113425605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).