1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine

C15H22Cl2N2O — CID 79051461

IUPAC1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H22Cl2N2O/c1-15(2,19-6-8-20-9-7-19)14(18-3)11-4-5-12(16)13(17)10-11/h4-5,10,14,18H,6-9H2,1-3H3
InChIKeyHUOIBPKWYAZVBT-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.36
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine

1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 79051461) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
PubChem CID79051461
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H22Cl2N2O/c1-15(2,19-6-8-20-9-7-19)14(18-3)11-4-5-12(16)13(17)10-11/h4-5,10,14,18H,6-9H2,1-3H3
InChIKeyHUOIBPKWYAZVBT-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

N,2-dimethyl-2-morpholin-4-yl-1-phenylpropan-1-amine
CID 79050725
[1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropyl]hydrazine
CID 105240053
[1-(3,4-dichlorophenyl)-2-methyl-2-morpholin-4-ylbutyl]hydrazine
CID 105241529
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949072
1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
CID 79065335
1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 82771720
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)-2-methylpropan-1-ol
CID 79051073
[1-(3-chloro-4-methylphenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 107562387
1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854463
1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine
CID 107359880
1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 106942723

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine (CID 79051461) is 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine is CNC(c1ccc(Cl)c(Cl)c1)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is HUOIBPKWYAZVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-15(2,19-6-8-20-9-7-19)14(18-3)11-4-5-12(16)13(17)10-11/h4-5,10,14,18H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine 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-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 79051461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).