(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride

C18H20Cl2N2O2 — CID 119784353

IUPAC(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H19ClN2O2.ClH/c1-12-11-23-17(15-7-2-3-8-16(15)19)10-21(12)18(22)13-5-4-6-14(20)9-13;/h2-9,12,17H,10-11,20H2,1H3;1H
InChIKeyDYVPCUMEUBDNGW-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.95
Rot. Bonds2

About (3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride

(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride (PubChem CID 119784353) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is (3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
PubChem CID119784353
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H19ClN2O2.ClH/c1-12-11-23-17(15-7-2-3-8-16(15)19)10-21(12)18(22)13-5-4-6-14(20)9-13;/h2-9,12,17H,10-11,20H2,1H3;1H
InChIKeyDYVPCUMEUBDNGW-UHFFFAOYSA-N
XLogP3.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.95
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)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 120632693
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124568472
[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 96511165
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
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
[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 56786709
[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 95620407
[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 86934579
2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride
CID 71930920

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride (CID 119784353) is (3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride is CC1COC(c2ccccc2Cl)CN1C(=O)c1cccc(N)c1.Cl.
What is the InChIKey of (3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride?
The InChIKey is DYVPCUMEUBDNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2.ClH/c1-12-11-23-17(15-7-2-3-8-16(15)19)10-21(12)18(22)13-5-4-6-14(20)9-13;/h2-9,12,17H,10-11,20H2,1H3;1H.
What are the key properties of (3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride?
(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119784353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).