(5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride

C19H22Cl2N2O2 — CID 120632693

IUPAC(5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CC(c2ccccc2Cl)OCC1C.Cl
InChIInChI=1S/C19H21ClN2O2.ClH/c1-12-7-8-14(21)9-16(12)19(23)22-10-18(24-11-13(22)2)15-5-3-4-6-17(15)20;/h3-9,13,18H,10-11,21H2,1-2H3;1H
InChIKeyVYLRMWQNEGHAEP-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.25
Rot. Bonds2

About (5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride

(5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride (PubChem CID 120632693) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
PubChem CID120632693
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name(5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CC(c2ccccc2Cl)OCC1C.Cl
InChIInChI=1S/C19H21ClN2O2.ClH/c1-12-7-8-14(21)9-16(12)19(23)22-10-18(24-11-13(22)2)15-5-3-4-6-17(15)20;/h3-9,13,18H,10-11,21H2,1-2H3;1H
InChIKeyVYLRMWQNEGHAEP-UHFFFAOYSA-N
XLogP4.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.25
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

(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 119784353
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 96511165
(3-chloro-4-pyridinyl)-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 124504814
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124568472
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
5-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]thiophene-3-carbonitrile
CID 124609421
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride?
The IUPAC name of (5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride (CID 120632693) is (5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride?
The canonical SMILES for (5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride is Cc1ccc(N)cc1C(=O)N1CC(c2ccccc2Cl)OCC1C.Cl.
What is the InChIKey of (5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride?
The InChIKey is VYLRMWQNEGHAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2.ClH/c1-12-7-8-14(21)9-16(12)19(23)22-10-18(24-11-13(22)2)15-5-3-4-6-17(15)20;/h3-9,13,18H,10-11,21H2,1-2H3;1H.
What are the key properties of (5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride?
(5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride has a molecular weight of 381.30 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120632693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).