(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride

C13H18Cl2N2O2 — CID 119729193

IUPAC(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(N)cc2Cl)C(C)CO1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-8-7-18-9(2)6-16(8)13(17)11-4-3-10(15)5-12(11)14;/h3-5,8-9H,6-7,15H2,1-2H3;1H
InChIKeyKWNFYVPTSPDIDC-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.59
Rot. Bonds1

About (4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride

(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride (PubChem CID 119729193) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
PubChem CID119729193
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(N)cc2Cl)C(C)CO1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-8-7-18-9(2)6-16(8)13(17)11-4-3-10(15)5-12(11)14;/h3-5,8-9H,6-7,15H2,1-2H3;1H
InChIKeyKWNFYVPTSPDIDC-UHFFFAOYSA-N
XLogP2.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.59
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

(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
(5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095416
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 63117029
(4-amino-2-chlorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119771955
(4-chloro-6-methyl-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81226044
(5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 120632693
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103295933
(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103887571
(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride (CID 119729193) is (4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride is CC1CN(C(=O)c2ccc(N)cc2Cl)C(C)CO1.Cl.
What is the InChIKey of (4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride?
The InChIKey is KWNFYVPTSPDIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c1-8-7-18-9(2)6-16(8)13(17)11-4-3-10(15)5-12(11)14;/h3-5,8-9H,6-7,15H2,1-2H3;1H.
What are the key properties of (4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride?
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride has a molecular weight of 305.20 g/mol, XLogP of 2.59, 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)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119729193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).