2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride

C16H16Cl3NO — CID 19864656

IUPAC2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride
SMILESCNC1Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2C1.Cl
InChIInChI=1S/C16H15Cl2NO.ClH/c1-19-14-8-10-6-12(17)2-4-15(10)20-16-5-3-13(18)7-11(16)9-14;/h2-7,14,19H,8-9H2,1H3;1H
InChIKeyWKGNLWVBAXJDJN-UHFFFAOYSA-N
MW344.67 g/mol
LogP4.89
Rot. Bonds1

About 2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride

2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride (PubChem CID 19864656) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is 2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride.

Molecular Properties

Compound Name2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride
PubChem CID19864656
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride
SMILESCNC1Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2C1.Cl
InChIInChI=1S/C16H15Cl2NO.ClH/c1-19-14-8-10-6-12(17)2-4-15(10)20-16-5-3-13(18)7-11(16)9-14;/h2-7,14,19H,8-9H2,1H3;1H
InChIKeyWKGNLWVBAXJDJN-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.67
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride 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

1-[(5S)-8-chloro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-5-yl]-N-methylmethanamine
CID 171472475
6-chloro-3-propan-2-yl-3,4-dihydrochromen-2-one
CID 132551426
3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-ol
CID 78358085
(2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran
CID 142930046
6-chloro-2-oxo-3,4-dihydrochromene-3-carboxylic acid
CID 175653078
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200866
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085
5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120831314
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
(4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene
CID 22826681

Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride?
The IUPAC name of 2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride (CID 19864656) is 2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride.
What is the SMILES notation for 2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride?
The canonical SMILES for 2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride is CNC1Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2C1.Cl.
What is the InChIKey of 2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride?
The InChIKey is WKGNLWVBAXJDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO.ClH/c1-19-14-8-10-6-12(17)2-4-15(10)20-16-5-3-13(18)7-11(16)9-14;/h2-7,14,19H,8-9H2,1H3;1H.
What are the key properties of 2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride?
2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride has a molecular weight of 344.67 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine;hydrochloride is sourced from PubChem (CID 19864656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).