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

C14H21NO2 — CID 82083415

IUPAC3-(4-methoxy-3-propan-2-ylphenyl)morpholine
SMILESCOc1ccc(C2COCCN2)cc1C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)12-8-11(4-5-14(12)16-3)13-9-17-7-6-15-13/h4-5,8,10,13,15H,6-7,9H2,1-3H3
InChIKeyCFFJRQLFZQIPQJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.48
Rot. Bonds3

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

3-(4-methoxy-3-propan-2-ylphenyl)morpholine (PubChem CID 82083415) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(4-methoxy-3-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name3-(4-methoxy-3-propan-2-ylphenyl)morpholine
PubChem CID82083415
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(4-methoxy-3-propan-2-ylphenyl)morpholine
SMILESCOc1ccc(C2COCCN2)cc1C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)12-8-11(4-5-14(12)16-3)13-9-17-7-6-15-13/h4-5,8,10,13,15H,6-7,9H2,1-3H3
InChIKeyCFFJRQLFZQIPQJ-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
3-(3-ethyl-4-methoxyphenyl)morpholine
CID 82286598
5-(4-methoxy-3-propan-2-ylphenyl)-2-methylmorpholine
CID 82297024
3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
CID 82118990
(3R)-3-(3-methoxy-4-phenylmethoxyphenyl)morpholine
CID 171192902
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
3-(4-ethoxy-3-fluorophenyl)morpholine
CID 82287553
(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193382
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)morpholine?
The IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)morpholine (CID 82083415) is 3-(4-methoxy-3-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 3-(4-methoxy-3-propan-2-ylphenyl)morpholine?
The canonical SMILES for 3-(4-methoxy-3-propan-2-ylphenyl)morpholine is COc1ccc(C2COCCN2)cc1C(C)C.
What is the InChIKey of 3-(4-methoxy-3-propan-2-ylphenyl)morpholine?
The InChIKey is CFFJRQLFZQIPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)12-8-11(4-5-14(12)16-3)13-9-17-7-6-15-13/h4-5,8,10,13,15H,6-7,9H2,1-3H3.
What are the key properties of 3-(4-methoxy-3-propan-2-ylphenyl)morpholine?
3-(4-methoxy-3-propan-2-ylphenyl)morpholine has a molecular weight of 235.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 82083415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).