(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone

C12H15ClN2O2 — CID 43541599

IUPAC(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8-7-17-5-4-15(8)12(16)10-3-2-9(14)6-11(10)13/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyHEYQZTFNIIMOIQ-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.78
Rot. Bonds1

About (4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone

(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 43541599) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
PubChem CID43541599
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8-7-17-5-4-15(8)12(16)10-3-2-9(14)6-11(10)13/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyHEYQZTFNIIMOIQ-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
[5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106773568
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
(6-amino-5-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 55041929
5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide
CID 69149147
(4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 78862378
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
(5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 56811977

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone (CID 43541599) is (4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of (4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is HEYQZTFNIIMOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-7-17-5-4-15(8)12(16)10-3-2-9(14)6-11(10)13/h2-3,6,8H,4-5,7,14H2,1H3.
What are the key properties of (4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone?
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 254.72 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 43541599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).