2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone

C13H17ClN2O2 — CID 117425550

IUPAC2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
SMILESNCC(=O)c1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-7-10(13(17)8-15)1-2-11(12)9-16-3-5-18-6-4-16/h1-2,7H,3-6,8-9,15H2
InChIKeyHBGOVPARUAHEJG-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone

2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone (PubChem CID 117425550) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
PubChem CID117425550
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
SMILESNCC(=O)c1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-7-10(13(17)8-15)1-2-11(12)9-16-3-5-18-6-4-16/h1-2,7H,3-6,8-9,15H2
InChIKeyHBGOVPARUAHEJG-UHFFFAOYSA-N
XLogP1.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
CID 117390089
3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 102663922
3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117481323
1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
CID 82482111
1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine
CID 117450919
2-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117422866
2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone
CID 170860466
4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
CID 75520574
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
(3-chloro-4-methylphenyl)-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 59278521

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone (CID 117425550) is 2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone is NCC(=O)c1ccc(CN2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone?
The InChIKey is HBGOVPARUAHEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-7-10(13(17)8-15)1-2-11(12)9-16-3-5-18-6-4-16/h1-2,7H,3-6,8-9,15H2.
What are the key properties of 2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone?
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone has a molecular weight of 268.74 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone is sourced from PubChem (CID 117425550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).