2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine

C13H18Cl2N2O — CID 74237243

IUPAC2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
SMILESNCCC1CN(Cc2c(Cl)cccc2Cl)CCO1
InChIInChI=1S/C13H18Cl2N2O/c14-12-2-1-3-13(15)11(12)9-17-6-7-18-10(8-17)4-5-16/h1-3,10H,4-9,16H2
InChIKeyWIUXZUXFHSXODX-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.54
Rot. Bonds4

About 2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine

2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine (PubChem CID 74237243) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
PubChem CID74237243
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
SMILESNCCC1CN(Cc2c(Cl)cccc2Cl)CCO1
InChIInChI=1S/C13H18Cl2N2O/c14-12-2-1-3-13(15)11(12)9-17-6-7-18-10(8-17)4-5-16/h1-3,10H,4-9,16H2
InChIKeyWIUXZUXFHSXODX-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
4-[(2,6-dichlorophenyl)methyl]morpholine-2-carbothioamide
CID 79681122
2-[4-[(4-phenoxyphenyl)methyl]morpholin-2-yl]ethanamine
CID 74241226
4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881847
3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline
CID 63747624
4-[(2-amino-6-chlorophenyl)methyl]morpholine-2-carbonitrile
CID 79665254
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 112654434

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine (CID 74237243) is 2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine is NCCC1CN(Cc2c(Cl)cccc2Cl)CCO1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine?
The InChIKey is WIUXZUXFHSXODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c14-12-2-1-3-13(15)11(12)9-17-6-7-18-10(8-17)4-5-16/h1-3,10H,4-9,16H2.
What are the key properties of 2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine?
2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine has a molecular weight of 289.21 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 74237243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).