(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone

C14H20N2O2 — CID 61428416

IUPAC(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCc1ccc(C(=O)N2CCOCC2(C)C)cc1N
InChIInChI=1S/C14H20N2O2/c1-10-4-5-11(8-12(10)15)13(17)16-6-7-18-9-14(16,2)3/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyGAJQUTZPLIZURS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.83
Rot. Bonds1

About (3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone

(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 61428416) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID61428416
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCc1ccc(C(=O)N2CCOCC2(C)C)cc1N
InChIInChI=1S/C14H20N2O2/c1-10-4-5-11(8-12(10)15)13(17)16-6-7-18-9-14(16,2)3/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyGAJQUTZPLIZURS-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.83
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-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107074853
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103865329
(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996
5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline
CID 62912142
(3-chloro-4-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 82781748
(3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 112507350
(3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 105069397
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 110353758
3-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
CID 76906957

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone (CID 61428416) is (3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone is Cc1ccc(C(=O)N2CCOCC2(C)C)cc1N.
What is the InChIKey of (3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is GAJQUTZPLIZURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-5-11(8-12(10)15)13(17)16-6-7-18-9-14(16,2)3/h4-5,8H,6-7,9,15H2,1-3H3.
What are the key properties of (3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 61428416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).