3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one

C11H11Cl2NO3 — CID 60887506

IUPAC3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one
SMILESNCc1cc(Cl)cc(Cl)c1OC1CCOC1=O
InChIInChI=1S/C11H11Cl2NO3/c12-7-3-6(5-14)10(8(13)4-7)17-9-1-2-16-11(9)15/h3-4,9H,1-2,5,14H2
InChIKeyXDDZULHLWIGRBA-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.15
Rot. Bonds3

About 3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one

3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one (PubChem CID 60887506) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one
PubChem CID60887506
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one
SMILESNCc1cc(Cl)cc(Cl)c1OC1CCOC1=O
InChIInChI=1S/C11H11Cl2NO3/c12-7-3-6(5-14)10(8(13)4-7)17-9-1-2-16-11(9)15/h3-4,9H,1-2,5,14H2
InChIKeyXDDZULHLWIGRBA-UHFFFAOYSA-N
XLogP2.15
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one 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

3,5-dichloro-2-(2-oxooxolan-3-yl)oxybenzaldehyde
CID 43516007
3-(2-amino-6-bromo-4-chlorophenoxy)oxolan-2-one
CID 43379132
3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]oxolan-2-one
CID 104664493
(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
CID 43515648
3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one
CID 112608577
[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine
CID 54793716
5-[[2-(aminomethyl)-4,6-dichlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889428
3-(6-amino-2,3-difluorophenoxy)oxolan-2-one
CID 117095633
4-chloro-2-(2-oxooxolan-3-yl)oxybenzenecarbothioamide
CID 113277366
3-chloro-4-(2-oxooxolan-3-yl)oxybenzenecarbothioamide
CID 61388989
2-chloro-4-(2-oxooxolan-3-yl)oxybenzonitrile
CID 102723972
[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
CID 104664075

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one?
The IUPAC name of 3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one (CID 60887506) is 3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one.
What is the SMILES notation for 3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one?
The canonical SMILES for 3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one is NCc1cc(Cl)cc(Cl)c1OC1CCOC1=O.
What is the InChIKey of 3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one?
The InChIKey is XDDZULHLWIGRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c12-7-3-6(5-14)10(8(13)4-7)17-9-1-2-16-11(9)15/h3-4,9H,1-2,5,14H2.
What are the key properties of 3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one?
3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one has a molecular weight of 276.12 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one is sourced from PubChem (CID 60887506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).