3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine

C15H22Cl2N2O2 — CID 69453911

IUPAC3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine
SMILESCNCCC(CN1CCOCC1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-18-5-4-13(11-19-6-8-20-9-7-19)21-15-3-2-12(16)10-14(15)17/h2-3,10,13,18H,4-9,11H2,1H3
InChIKeyIFWNHOHPEXMMIW-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.68
Rot. Bonds7

About 3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine

3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine (PubChem CID 69453911) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine
PubChem CID69453911
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine
SMILESCNCCC(CN1CCOCC1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-18-5-4-13(11-19-6-8-20-9-7-19)21-15-3-2-12(16)10-14(15)17/h2-3,10,13,18H,4-9,11H2,1H3
InChIKeyIFWNHOHPEXMMIW-UHFFFAOYSA-N
XLogP2.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[[(3R)-3-(2,4-dichlorophenoxy)-4-morpholin-4-ylbutyl]-methylamino] butanedioate
CID 87840133
(3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride
CID 69456701
N-[(2,4-dichlorophenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675759
[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 932357
N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 60958211
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144310
1-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43079142
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30547645
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2931257
2,4-dichloro-N-(morpholin-4-ylmethyl)aniline
CID 4525296
2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene
CID 70463022

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine (CID 69453911) is 3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine is CNCCC(CN1CCOCC1)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine?
The InChIKey is IFWNHOHPEXMMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-18-5-4-13(11-19-6-8-20-9-7-19)21-15-3-2-12(16)10-14(15)17/h2-3,10,13,18H,4-9,11H2,1H3.
What are the key properties of 3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine?
3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine has a molecular weight of 333.26 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 69453911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).