[5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone

C14H21N3O2 — CID 106773568

IUPAC[5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C14H21N3O2/c1-10-9-19-7-6-17(10)14(18)12-8-11(15)4-5-13(12)16(2)3/h4-5,8,10H,6-7,9,15H2,1-3H3/t10-/m1/s1
InChIKeyXVXCURGXDWGDNY-SNVBAGLBSA-N
MW263.34 g/mol
LogP1.20
Rot. Bonds2

About [5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone

[5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 106773568) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID106773568
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C14H21N3O2/c1-10-9-19-7-6-17(10)14(18)12-8-11(15)4-5-13(12)16(2)3/h4-5,8,10H,6-7,9,15H2,1-3H3/t10-/m1/s1
InChIKeyXVXCURGXDWGDNY-SNVBAGLBSA-N
XLogP1.20
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone
CID 16639867
[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
CID 61091481
5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide
CID 69149147
(2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone
CID 62059334
[5-amino-2-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916446
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539
[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165923
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of [5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone (CID 106773568) is [5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for [5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone is C[C@@H]1COCCN1C(=O)c1cc(N)ccc1N(C)C.
What is the InChIKey of [5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is XVXCURGXDWGDNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-9-19-7-6-17(10)14(18)12-8-11(15)4-5-13(12)16(2)3/h4-5,8,10H,6-7,9,15H2,1-3H3/t10-/m1/s1.
What are the key properties of [5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
[5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 106773568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).