2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine

C20H23Cl2NO2 — CID 23458335

IUPAC2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C(Oc2ccccc2)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H23Cl2NO2/c1-14(2)23-10-11-24-19(13-23)20(25-16-6-4-3-5-7-16)15-8-9-17(21)18(22)12-15/h3-9,12,14,19-20H,10-11,13H2,1-2H3
InChIKeyLJHKHVVASIQEBA-UHFFFAOYSA-N
MW380.32 g/mol
LogP5.22
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine

2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine (PubChem CID 23458335) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine
PubChem CID23458335
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC Name2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C(Oc2ccccc2)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H23Cl2NO2/c1-14(2)23-10-11-24-19(13-23)20(25-16-6-4-3-5-7-16)15-8-9-17(21)18(22)12-15/h3-9,12,14,19-20H,10-11,13H2,1-2H3
InChIKeyLJHKHVVASIQEBA-UHFFFAOYSA-N
XLogP5.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine
CID 23458321
2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine
CID 23458442
phenyl-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665183
2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine
CID 57125662
2-(2-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665755
(2,3-dichlorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665565
2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine
CID 57110577
(4-propan-2-ylmorpholin-2-yl)-quinolin-3-ylmethanamine
CID 79665562
(4-propan-2-ylmorpholin-2-yl)-quinolin-3-ylmethanol
CID 79665158
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79662870
(2-phenylcyclopropyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 116517749
(2,6-difluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79664477

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine (CID 23458335) is 2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(C(Oc2ccccc2)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine?
The InChIKey is LJHKHVVASIQEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-14(2)23-10-11-24-19(13-23)20(25-16-6-4-3-5-7-16)15-8-9-17(21)18(22)12-15/h3-9,12,14,19-20H,10-11,13H2,1-2H3.
What are the key properties of 2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine?
2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine has a molecular weight of 380.32 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 23458335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).