1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine

C15H22Cl2N2O — CID 79662870

IUPAC1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCNC(c1cccc(Cl)c1Cl)C1CN(C(C)C)CCO1
InChIInChI=1S/C15H22Cl2N2O/c1-10(2)19-7-8-20-13(9-19)15(18-3)11-5-4-6-12(16)14(11)17/h4-6,10,13,15,18H,7-9H2,1-3H3
InChIKeyQDYXXSYRSVSQQG-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.36
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine

1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine (PubChem CID 79662870) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
PubChem CID79662870
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCNC(c1cccc(Cl)c1Cl)C1CN(C(C)C)CCO1
InChIInChI=1S/C15H22Cl2N2O/c1-10(2)19-7-8-20-13(9-19)15(18-3)11-5-4-6-12(16)14(11)17/h4-6,10,13,15,18H,7-9H2,1-3H3
InChIKeyQDYXXSYRSVSQQG-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665565
1-(furan-2-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665774
N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093846
[(3-chlorothiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 107362112
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 105248212
[2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]hydrazine
CID 102867978
2-(2-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665755
[4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114079708
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665219
2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663311
1-(2,3-dichlorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 113299545
phenyl-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665183

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine (CID 79662870) is 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine is CNC(c1cccc(Cl)c1Cl)C1CN(C(C)C)CCO1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The InChIKey is QDYXXSYRSVSQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-10(2)19-7-8-20-13(9-19)15(18-3)11-5-4-6-12(16)14(11)17/h4-6,10,13,15,18H,7-9H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine has a molecular weight of 317.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79662870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).