2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine

C13H18ClNO2 — CID 115004570

IUPAC2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
SMILESCOc1c(C2CNCCO2)cc(C)c(C)c1Cl
InChIInChI=1S/C13H18ClNO2/c1-8-6-10(11-7-15-4-5-17-11)13(16-3)12(14)9(8)2/h6,11,15H,4-5,7H2,1-3H3
InChIKeySHMPDOQXNLCMMA-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.63
Rot. Bonds2

About 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine

2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine (PubChem CID 115004570) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
PubChem CID115004570
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
SMILESCOc1c(C2CNCCO2)cc(C)c(C)c1Cl
InChIInChI=1S/C13H18ClNO2/c1-8-6-10(11-7-15-4-5-17-11)13(16-3)12(14)9(8)2/h6,11,15H,4-5,7H2,1-3H3
InChIKeySHMPDOQXNLCMMA-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine 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

2-methoxy-5,6-dimethyl-3-morpholin-2-ylphenol
CID 117346862
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-methoxy-3,6-dimethyl-4-morpholin-2-ylphenol
CID 117346877
2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine
CID 117476546
2-(3-methoxy-2,4-dimethylphenyl)morpholine
CID 117316054
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
CID 117432137
2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
CID 117356511
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine?
The IUPAC name of 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine (CID 115004570) is 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine.
What is the SMILES notation for 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine?
The canonical SMILES for 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine is COc1c(C2CNCCO2)cc(C)c(C)c1Cl.
What is the InChIKey of 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine?
The InChIKey is SHMPDOQXNLCMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8-6-10(11-7-15-4-5-17-11)13(16-3)12(14)9(8)2/h6,11,15H,4-5,7H2,1-3H3.
What are the key properties of 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine?
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine has a molecular weight of 255.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine is sourced from PubChem (CID 115004570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).