6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol

C16H15Cl2NO3 — CID 27080619

IUPAC6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol
SMILESCN(Cc1cc2c(cc1O)OCO2)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2NO3/c1-19(7-10-3-2-4-12(17)16(10)18)8-11-5-14-15(6-13(11)20)22-9-21-14/h2-6,20H,7-9H2,1H3
InChIKeyRTUAMOCTGRMFQK-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.06
Rot. Bonds4

About 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol

6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol (PubChem CID 27080619) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol
PubChem CID27080619
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol
SMILESCN(Cc1cc2c(cc1O)OCO2)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2NO3/c1-19(7-10-3-2-4-12(17)16(10)18)8-11-5-14-15(6-13(11)20)22-9-21-14/h2-6,20H,7-9H2,1H3
InChIKeyRTUAMOCTGRMFQK-UHFFFAOYSA-N
XLogP4.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol 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

6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol
CID 12032543
6-[(2,6-dichloroanilino)methyl]-1,3-benzodioxol-5-ol
CID 65467963
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide
CID 24566255
6-[[methyl(2-methylbutyl)amino]methyl]-1,3-benzodioxol-5-ol
CID 78954341
2-chloro-3-[[ethyl(methyl)amino]methyl]phenol
CID 127011573
3-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]benzenecarbothioamide
CID 107306426
6-[(3-methoxy-N-methylanilino)methyl]-1,3-benzodioxol-5-ol
CID 82957694
1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol
CID 107307427
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 35977920
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
2-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7480376

Frequently Asked Questions

What is the IUPAC name of 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol?
The IUPAC name of 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol (CID 27080619) is 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol is CN(Cc1cc2c(cc1O)OCO2)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol?
The InChIKey is RTUAMOCTGRMFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-19(7-10-3-2-4-12(17)16(10)18)8-11-5-14-15(6-13(11)20)22-9-21-14/h2-6,20H,7-9H2,1H3.
What are the key properties of 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol?
6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol has a molecular weight of 340.21 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol is sourced from PubChem (CID 27080619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).