(2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone

C18H19ClN2O2 — CID 156874622

IUPAC(2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESCc1cc(N)c(C(=O)N2CCOC(c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-9-14(19)17(15(20)10-12)18(22)21-7-8-23-16(11-21)13-5-3-2-4-6-13/h2-6,9-10,16H,7-8,11,20H2,1H3
InChIKeySYYNITKFVLYIPR-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.44
Rot. Bonds2

About (2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone

(2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 156874622) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is (2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID156874622
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name(2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESCc1cc(N)c(C(=O)N2CCOC(c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-9-14(19)17(15(20)10-12)18(22)21-7-8-23-16(11-21)13-5-3-2-4-6-13/h2-6,9-10,16H,7-8,11,20H2,1H3
InChIKeySYYNITKFVLYIPR-UHFFFAOYSA-N
XLogP3.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.44
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-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 47021336
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
(4-methylphenyl)-[2-[(2R)-2-phenylmorpholine-4-carbonyl]phenyl]methanone
CID 35271482
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876
[4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane
CID 156874711
(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134492
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 42649604
(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894667

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone (CID 156874622) is (2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone is Cc1cc(N)c(C(=O)N2CCOC(c3ccccc3)C2)c(Cl)c1.
What is the InChIKey of (2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is SYYNITKFVLYIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-9-14(19)17(15(20)10-12)18(22)21-7-8-23-16(11-21)13-5-3-2-4-6-13/h2-6,9-10,16H,7-8,11,20H2,1H3.
What are the key properties of (2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone?
(2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 330.82 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloro-4-methylphenyl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 156874622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).