(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone

C19H21FN2O2 — CID 120635302

IUPAC(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CC(C)OC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H21FN2O2/c1-12-3-8-16(21)9-17(12)19(23)22-10-13(2)24-18(11-22)14-4-6-15(20)7-5-14/h3-9,13,18H,10-11,21H2,1-2H3
InChIKeyIZCBMJKUPPILPK-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.32
Rot. Bonds2

About (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone

(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 120635302) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
PubChem CID120635302
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CC(C)OC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H21FN2O2/c1-12-3-8-16(21)9-17(12)19(23)22-10-13(2)24-18(11-22)14-4-6-15(20)7-5-14/h3-9,13,18H,10-11,21H2,1-2H3
InChIKeyIZCBMJKUPPILPK-UHFFFAOYSA-N
XLogP3.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.32
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

(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369215
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propan-1-one
CID 119332587
cyclopropyl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369168
1,3-benzodioxol-5-yl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369219
(2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914309
[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone
CID 124626418
1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-(5-amino-2-methylphenyl)methanone
CID 120636073
[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 124694866
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]ethanone
CID 110369198
(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 120625558
(2-chloro-6-fluorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369220
2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055790

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone (CID 120635302) is (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone is Cc1ccc(N)cc1C(=O)N1CC(C)OC(c2ccc(F)cc2)C1.
What is the InChIKey of (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is IZCBMJKUPPILPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-12-3-8-16(21)9-17(12)19(23)22-10-13(2)24-18(11-22)14-4-6-15(20)7-5-14/h3-9,13,18H,10-11,21H2,1-2H3.
What are the key properties of (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 3.32, 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-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 120635302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).