1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone

C12H15ClN2O2 — CID 82482111

IUPAC1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
SMILESNc1cc(C(=O)CN2CCOCC2)ccc1Cl
InChIInChI=1S/C12H15ClN2O2/c13-10-2-1-9(7-11(10)14)12(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8,14H2
InChIKeyKHBRCIBQWOAHMH-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.44
Rot. Bonds3

About 1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone

1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone (PubChem CID 82482111) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
PubChem CID82482111
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
SMILESNc1cc(C(=O)CN2CCOCC2)ccc1Cl
InChIInChI=1S/C12H15ClN2O2/c13-10-2-1-9(7-11(10)14)12(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8,14H2
InChIKeyKHBRCIBQWOAHMH-UHFFFAOYSA-N
XLogP1.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
1-(3-chlorophenyl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973972
1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
CID 24747690
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550
1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone
CID 93194137
1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone
CID 43227706
1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one
CID 67707252
N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine
CID 164862221
2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone
CID 170860466

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone (CID 82482111) is 1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone is Nc1cc(C(=O)CN2CCOCC2)ccc1Cl.
What is the InChIKey of 1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone?
The InChIKey is KHBRCIBQWOAHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-2-1-9(7-11(10)14)12(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8,14H2.
What are the key properties of 1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone?
1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone has a molecular weight of 254.72 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 82482111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).