3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine

C14H20ClNO2 — CID 116963158

IUPAC3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1C1COCCN1
InChIInChI=1S/C14H20ClNO2/c1-8-9(2)14(17-4)12(10(3)13(8)15)11-7-18-6-5-16-11/h11,16H,5-7H2,1-4H3
InChIKeyVSVQRXBGLILMRV-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.93
Rot. Bonds2

About 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine

3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine (PubChem CID 116963158) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine
PubChem CID116963158
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1C1COCCN1
InChIInChI=1S/C14H20ClNO2/c1-8-9(2)14(17-4)12(10(3)13(8)15)11-7-18-6-5-16-11/h11,16H,5-7H2,1-4H3
InChIKeyVSVQRXBGLILMRV-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)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-chloro-3-methoxy-4-morpholin-3-ylphenol
CID 84802086
5-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117117034
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
3-(4-bromo-2,6-dimethoxyphenyl)morpholine
CID 154562086
(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526
(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
3-(2,6-dimethylphenyl)morpholine
CID 55298000
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethyloxirane
CID 116864133
(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243
3-methoxy-2-[(3R)-morpholin-3-yl]phenol
CID 131502010
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450
(3R)-3-(2-methoxynaphthalen-1-yl)morpholine;hydrochloride
CID 171192849

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine?
The IUPAC name of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine (CID 116963158) is 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine.
What is the SMILES notation for 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine?
The canonical SMILES for 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine is COc1c(C)c(C)c(Cl)c(C)c1C1COCCN1.
What is the InChIKey of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine?
The InChIKey is VSVQRXBGLILMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-8-9(2)14(17-4)12(10(3)13(8)15)11-7-18-6-5-16-11/h11,16H,5-7H2,1-4H3.
What are the key properties of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine?
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine has a molecular weight of 269.77 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)morpholine is sourced from PubChem (CID 116963158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).