2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine

C15H22ClNO3 — CID 117482760

IUPAC2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine
SMILESCOc1cc(C2CNCCO2)c(C(C)C)c(Cl)c1OC
InChIInChI=1S/C15H22ClNO3/c1-9(2)13-10(12-8-17-5-6-20-12)7-11(18-3)15(19-4)14(13)16/h7,9,12,17H,5-6,8H2,1-4H3
InChIKeyVMFHUBZFLVCGAI-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.14
Rot. Bonds4

About 2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine

2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine (PubChem CID 117482760) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine
PubChem CID117482760
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine
SMILESCOc1cc(C2CNCCO2)c(C(C)C)c(Cl)c1OC
InChIInChI=1S/C15H22ClNO3/c1-9(2)13-10(12-8-17-5-6-20-12)7-11(18-3)15(19-4)14(13)16/h7,9,12,17H,5-6,8H2,1-4H3
InChIKeyVMFHUBZFLVCGAI-UHFFFAOYSA-N
XLogP3.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
CID 117437042
2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
CID 117464374
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine
CID 117426455
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine
CID 117435420
2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
CID 117356511
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine
CID 117427563
2-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)morpholine
CID 117479367

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine?
The IUPAC name of 2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine (CID 117482760) is 2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine?
The canonical SMILES for 2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine is COc1cc(C2CNCCO2)c(C(C)C)c(Cl)c1OC.
What is the InChIKey of 2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine?
The InChIKey is VMFHUBZFLVCGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-9(2)13-10(12-8-17-5-6-20-12)7-11(18-3)15(19-4)14(13)16/h7,9,12,17H,5-6,8H2,1-4H3.
What are the key properties of 2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine?
2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine has a molecular weight of 299.80 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 117482760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).