2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine

C12H14ClNO — CID 67947740

IUPAC2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine
SMILESNC12CCCCC1Oc1ccc(Cl)cc12
InChIInChI=1S/C12H14ClNO/c13-8-4-5-10-9(7-8)12(14)6-2-1-3-11(12)15-10/h4-5,7,11H,1-3,6,14H2
InChIKeyCPICUJOIJKIHHC-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.83
Rot. Bonds

About 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine

2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine (PubChem CID 67947740) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine.

Molecular Properties

Compound Name2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine
PubChem CID67947740
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine
SMILESNC12CCCCC1Oc1ccc(Cl)cc12
InChIInChI=1S/C12H14ClNO/c13-8-4-5-10-9(7-8)12(14)6-2-1-3-11(12)15-10/h4-5,7,11H,1-3,6,14H2
InChIKeyCPICUJOIJKIHHC-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine with MolForge

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Related Compounds

1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine
CID 63408172
methyl 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxylate
CID 67904089
1-(4-chlorophenyl)-7-oxabicyclo[4.1.0]heptane
CID 13437790
3-(9a-cyclopentyl-6,7,8,9-tetrahydro-5aH-dibenzofuran-4-yl)-2-amino-5-chloroindol-3-ol
CID 123699049
(6-chloro-4,4-dicyclopentyl-1,3-benzodioxin-2-yl) hydrogen carbonate
CID 130331915
1-(3-chlorophenyl)-2-cyclohexylcyclohexan-1-amine
CID 63408511
6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide
CID 67838432
1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084168
2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine
CID 63408171
2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63408216
1-(6-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine
CID 13233470
3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 82020755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine?
The IUPAC name of 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine (CID 67947740) is 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine.
What is the SMILES notation for 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine?
The canonical SMILES for 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine is NC12CCCCC1Oc1ccc(Cl)cc12.
What is the InChIKey of 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine?
The InChIKey is CPICUJOIJKIHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-8-4-5-10-9(7-8)12(14)6-2-1-3-11(12)15-10/h4-5,7,11H,1-3,6,14H2.
What are the key properties of 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine?
2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine has a molecular weight of 223.70 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-amine is sourced from PubChem (CID 67947740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).