2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one

C14H18Cl2N2O3 — CID 120988781

IUPAC2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2N2O3/c1-20-8-12(17)14(19)18-4-5-21-13(7-18)9-2-3-10(15)11(16)6-9/h2-3,6,12-13H,4-5,7-8,17H2,1H3
InChIKeyFUTUYWSVROKIRJ-UHFFFAOYSA-N
MW333.22 g/mol
LogP1.87
Rot. Bonds4

About 2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one

2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one (PubChem CID 120988781) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
PubChem CID120988781
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2N2O3/c1-20-8-12(17)14(19)18-4-5-21-13(7-18)9-2-3-10(15)11(16)6-9/h2-3,6,12-13H,4-5,7-8,17H2,1H3
InChIKeyFUTUYWSVROKIRJ-UHFFFAOYSA-N
XLogP1.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone
CID 56749922
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120989276
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119769922
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
(2S)-2-amino-1-[(2R)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-3,3-dimethylbutan-1-one
CID 99849922
2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride
CID 75449543
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364311

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one (CID 120988781) is 2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one is COCC(N)C(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one?
The InChIKey is FUTUYWSVROKIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-20-8-12(17)14(19)18-4-5-21-13(7-18)9-2-3-10(15)11(16)6-9/h2-3,6,12-13H,4-5,7-8,17H2,1H3.
What are the key properties of 2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one?
2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one has a molecular weight of 333.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 120988781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).