6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine

C14H18ClNO2 — CID 115417500

IUPAC6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
SMILESCNC1CCC(C)c2c(Cl)cc3c(c21)OCCO3
InChIInChI=1S/C14H18ClNO2/c1-8-3-4-10(16-2)13-12(8)9(15)7-11-14(13)18-6-5-17-11/h7-8,10,16H,3-6H2,1-2H3
InChIKeyUSVBCLLZHOWCFR-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.27
Rot. Bonds1

About 6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine

6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine (PubChem CID 115417500) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine.

Molecular Properties

Compound Name6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
PubChem CID115417500
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
SMILESCNC1CCC(C)c2c(Cl)cc3c(c21)OCCO3
InChIInChI=1S/C14H18ClNO2/c1-8-3-4-10(16-2)13-12(8)9(15)7-11-14(13)18-6-5-17-11/h7-8,10,16H,3-6H2,1-2H3
InChIKeyUSVBCLLZHOWCFR-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine with MolForge

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Related Compounds

6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine
CID 79838512
6-bromo-N-ethyl-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
CID 115417591
5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417669
7-bromo-N-ethyl-8-methyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine
CID 115417486
(10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol
CID 115417852
7-bromo-8-methyl-N-propyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine
CID 115417484
10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
CID 62933687
5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine
CID 113425605
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117387320
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512
9-chloro-N,6-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512693
7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130820671

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine?
The IUPAC name of 6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine (CID 115417500) is 6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine.
What is the SMILES notation for 6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine?
The canonical SMILES for 6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine is CNC1CCC(C)c2c(Cl)cc3c(c21)OCCO3.
What is the InChIKey of 6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine?
The InChIKey is USVBCLLZHOWCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-8-3-4-10(16-2)13-12(8)9(15)7-11-14(13)18-6-5-17-11/h7-8,10,16H,3-6H2,1-2H3.
What are the key properties of 6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine?
6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine has a molecular weight of 267.76 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine is sourced from PubChem (CID 115417500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).