6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine

C14H18ClNO2 — CID 79838512

IUPAC6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine
SMILESCNC1CC(C)(C)c2c(Cl)cc3c(c21)OCCO3
InChIInChI=1S/C14H18ClNO2/c1-14(2)7-9(16-3)11-12(14)8(15)6-10-13(11)18-5-4-17-10/h6,9,16H,4-5,7H2,1-3H3
InChIKeySWUUYIUBHXTSTQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.05
Rot. Bonds1

About 6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine

6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine (PubChem CID 79838512) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine.

Molecular Properties

Compound Name6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine
PubChem CID79838512
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine
SMILESCNC1CC(C)(C)c2c(Cl)cc3c(c21)OCCO3
InChIInChI=1S/C14H18ClNO2/c1-14(2)7-9(16-3)11-12(14)8(15)6-10-13(11)18-5-4-17-10/h6,9,16H,4-5,7H2,1-3H3
InChIKeySWUUYIUBHXTSTQ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
CID 62933687
6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
CID 115417500
5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 64698506
7-bromo-10-chloro-8,8-dimethyl-3,4,9,10-tetrahydro-2H-cyclopenta[i][1,5]benzodioxepine
CID 79838644
7,10-dibromo-8,8-dimethyl-3,4,9,10-tetrahydro-2H-cyclopenta[i][1,5]benzodioxepine
CID 79838544
1-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutan-1-amine
CID 117422934
10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
CID 62932992
1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117395016
6-chloro-N-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 79907143
5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 20765776
(1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine
CID 115484990
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117387320

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine?
The IUPAC name of 6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine (CID 79838512) is 6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine.
What is the SMILES notation for 6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine?
The canonical SMILES for 6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine is CNC1CC(C)(C)c2c(Cl)cc3c(c21)OCCO3.
What is the InChIKey of 6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine?
The InChIKey is SWUUYIUBHXTSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(2)7-9(16-3)11-12(14)8(15)6-10-13(11)18-5-4-17-10/h6,9,16H,4-5,7H2,1-3H3.
What are the key properties of 6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine?
6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine has a molecular weight of 267.76 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine is sourced from PubChem (CID 79838512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).