2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine

C18H18ClNO4 — CID 69259909

IUPAC2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine
SMILESCNC1(c2ccc(-c3cccc(OC)c3OC)cc2Cl)OC=CO1
InChIInChI=1S/C18H18ClNO4/c1-20-18(23-9-10-24-18)14-8-7-12(11-15(14)19)13-5-4-6-16(21-2)17(13)22-3/h4-11,20H,1-3H3
InChIKeySIXSFZOBTQTQJK-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.87
Rot. Bonds5

About 2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine

2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine (PubChem CID 69259909) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine.

Molecular Properties

Compound Name2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine
PubChem CID69259909
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine
SMILESCNC1(c2ccc(-c3cccc(OC)c3OC)cc2Cl)OC=CO1
InChIInChI=1S/C18H18ClNO4/c1-20-18(23-9-10-24-18)14-8-7-12(11-15(14)19)13-5-4-6-16(21-2)17(13)22-3/h4-11,20H,1-3H3
InChIKeySIXSFZOBTQTQJK-UHFFFAOYSA-N
XLogP3.87
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine?
The IUPAC name of 2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine (CID 69259909) is 2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine.
What is the SMILES notation for 2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine?
The canonical SMILES for 2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine is CNC1(c2ccc(-c3cccc(OC)c3OC)cc2Cl)OC=CO1.
What is the InChIKey of 2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine?
The InChIKey is SIXSFZOBTQTQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-20-18(23-9-10-24-18)14-8-7-12(11-15(14)19)13-5-4-6-16(21-2)17(13)22-3/h4-11,20H,1-3H3.
What are the key properties of 2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine?
2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine has a molecular weight of 347.80 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2,3-dimethoxyphenyl)phenyl]-N-methyl-1,3-dioxol-2-amine is sourced from PubChem (CID 69259909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).