5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine

C15H20ClNO — CID 113425600

IUPAC5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine
SMILESCCNC1CCCCc2c3c(cc(Cl)c21)CCO3
InChIInChI=1S/C15H20ClNO/c1-2-17-13-6-4-3-5-11-14(13)12(16)9-10-7-8-18-15(10)11/h9,13,17H,2-8H2,1H3
InChIKeyVKMQREBDUYXWOC-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.65
Rot. Bonds2

About 5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine

5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine (PubChem CID 113425600) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine
PubChem CID113425600
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine
SMILESCCNC1CCCCc2c3c(cc(Cl)c21)CCO3
InChIInChI=1S/C15H20ClNO/c1-2-17-13-6-4-3-5-11-14(13)12(16)9-10-7-8-18-15(10)11/h9,13,17H,2-8H2,1H3
InChIKeyVKMQREBDUYXWOC-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine with MolForge

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Related Compounds

5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine
CID 113425605
10-bromo-N-ethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
CID 62730255
5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 43621790
7-chloro-N-ethyl-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512033
6-bromo-5,8-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 107659779
N-ethyl-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990299
7-chloro-N-ethyl-2,3,4,5-tetrahydrobenzo[i][1]benzoxepin-5-amine
CID 43804602
3-chloro-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62735993
5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine
CID 113403857
1-chloro-3,4-difluoro-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107477722
6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43512713
5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran
CID 141158967

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine?
The IUPAC name of 5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine (CID 113425600) is 5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine.
What is the SMILES notation for 5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine?
The canonical SMILES for 5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine is CCNC1CCCCc2c3c(cc(Cl)c21)CCO3.
What is the InChIKey of 5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine?
The InChIKey is VKMQREBDUYXWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-17-13-6-4-3-5-11-14(13)12(16)9-10-7-8-18-15(10)11/h9,13,17H,2-8H2,1H3.
What are the key properties of 5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine?
5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine has a molecular weight of 265.78 g/mol, XLogP of 3.65, 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-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine is sourced from PubChem (CID 113425600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).