(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone

C12H15FN2O2 — CID 54927621

IUPAC(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1c(N)cc(C(=O)N2CCOCC2)cc1F
InChIInChI=1S/C12H15FN2O2/c1-8-10(13)6-9(7-11(8)14)12(16)15-2-4-17-5-3-15/h6-7H,2-5,14H2,1H3
InChIKeyPFTDHZKZHWMWPE-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.19
Rot. Bonds1

About (3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone

(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone (PubChem CID 54927621) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
PubChem CID54927621
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1c(N)cc(C(=O)N2CCOCC2)cc1F
InChIInChI=1S/C12H15FN2O2/c1-8-10(13)6-9(7-11(8)14)12(16)15-2-4-17-5-3-15/h6-7H,2-5,14H2,1H3
InChIKeyPFTDHZKZHWMWPE-UHFFFAOYSA-N
XLogP1.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.19
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

2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
4-(3-amino-5-fluoro-4-methylbenzoyl)piperazine-1-sulfonamide
CID 61140079
(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61114338
(3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 60862196
(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 60862183
(3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156628
methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate
CID 61118032
(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218225
(3-amino-5-fluoro-4-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166231
4-(3-amino-5-fluoro-4-methylbenzoyl)-1,4-diazepan-2-one
CID 65361612
(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996
2-(3-amino-5-fluoro-4-methylbenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856756

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone (CID 54927621) is (3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone is Cc1c(N)cc(C(=O)N2CCOCC2)cc1F.
What is the InChIKey of (3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone?
The InChIKey is PFTDHZKZHWMWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8-10(13)6-9(7-11(8)14)12(16)15-2-4-17-5-3-15/h6-7H,2-5,14H2,1H3.
What are the key properties of (3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone?
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone has a molecular weight of 238.26 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 54927621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).