[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone

C13H16Cl2N2O2 — CID 98010838

IUPAC[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
SMILESC[C@H](N)[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(16)11-7-17(5-6-19-11)13(18)9-3-2-4-10(14)12(9)15/h2-4,8,11H,5-7,16H2,1H3/t8-,11-/m0/s1
InChIKeyHHKHHPGBSUMVDE-KWQFWETISA-N
MW303.19 g/mol
LogP2.18
Rot. Bonds2

About [(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone

[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone (PubChem CID 98010838) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is [(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
PubChem CID98010838
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
SMILESC[C@H](N)[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(16)11-7-17(5-6-19-11)13(18)9-3-2-4-10(14)12(9)15/h2-4,8,11H,5-7,16H2,1H3/t8-,11-/m0/s1
InChIKeyHHKHHPGBSUMVDE-KWQFWETISA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
CID 81484165
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956289
[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 86780110
[2-(1-aminoethyl)morpholin-4-yl]-(2-nitrophenyl)methanone
CID 81484249
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(2-chlorophenyl)ethanone
CID 81485233
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
[2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone
CID 115315137
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
[2-(1-aminoethyl)morpholin-4-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 81484092

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone?
The IUPAC name of [(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone (CID 98010838) is [(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for [(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone?
The canonical SMILES for [(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone is C[C@H](N)[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1.
What is the InChIKey of [(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone?
The InChIKey is HHKHHPGBSUMVDE-KWQFWETISA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8(16)11-7-17(5-6-19-11)13(18)9-3-2-4-10(14)12(9)15/h2-4,8,11H,5-7,16H2,1H3/t8-,11-/m0/s1.
What are the key properties of [(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone?
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone has a molecular weight of 303.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 98010838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).