2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine

C14H20ClNO2 — CID 117427563

IUPAC2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine
SMILESCOc1c(Cl)cc(C2CNCCO2)cc1C(C)C
InChIInChI=1S/C14H20ClNO2/c1-9(2)11-6-10(7-12(15)14(11)17-3)13-8-16-4-5-18-13/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyWQGJYQBIEADFSM-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.13
Rot. Bonds3

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

2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine (PubChem CID 117427563) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine
PubChem CID117427563
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine
SMILESCOc1c(Cl)cc(C2CNCCO2)cc1C(C)C
InChIInChI=1S/C14H20ClNO2/c1-9(2)11-6-10(7-12(15)14(11)17-3)13-8-16-4-5-18-13/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyWQGJYQBIEADFSM-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
CID 117432137
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236
2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine
CID 117482760
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
CID 117464374
3-fluoro-2-methoxy-5-morpholin-2-ylphenol
CID 117326493
2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine
CID 117432500
4-chloro-3-methyl-2-morpholin-2-yl-6-propan-2-ylphenol
CID 117427567
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine?
The IUPAC name of 2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine (CID 117427563) is 2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine?
The canonical SMILES for 2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine is COc1c(Cl)cc(C2CNCCO2)cc1C(C)C.
What is the InChIKey of 2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine?
The InChIKey is WQGJYQBIEADFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)11-6-10(7-12(15)14(11)17-3)13-8-16-4-5-18-13/h6-7,9,13,16H,4-5,8H2,1-3H3.
What are the key properties of 2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine?
2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine has a molecular weight of 269.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 117427563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).