(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

C16H23N3O2 — CID 63168260

IUPAC(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H23N3O2/c1-12-2-3-13(17)10-15(12)16(20)19-5-4-14(11-19)18-6-8-21-9-7-18/h2-3,10,14H,4-9,11,17H2,1H3
InChIKeyANXXWZIEMFIQOD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.12
Rot. Bonds2

About (5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 63168260) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
PubChem CID63168260
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H23N3O2/c1-12-2-3-13(17)10-15(12)16(20)19-5-4-14(11-19)18-6-8-21-9-7-18/h2-3,10,14H,4-9,11,17H2,1H3
InChIKeyANXXWZIEMFIQOD-UHFFFAOYSA-N
XLogP1.12
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168605
(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63167995
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
(5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 120645207
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120642716
(2-hydroxy-3-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63527838
(4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 136512721
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 107075249

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (CID 63168260) is (5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is Cc1ccc(N)cc1C(=O)N1CCC(N2CCOCC2)C1.
What is the InChIKey of (5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is ANXXWZIEMFIQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-2-3-13(17)10-15(12)16(20)19-5-4-14(11-19)18-6-8-21-9-7-18/h2-3,10,14H,4-9,11,17H2,1H3.
What are the key properties of (5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63168260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).