5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline

C13H20N2O — CID 62912142

IUPAC5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline
SMILESCc1ccc(N2CCOCC2(C)C)cc1N
InChIInChI=1S/C13H20N2O/c1-10-4-5-11(8-12(10)14)15-6-7-16-9-13(15,2)3/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyQBUQMBFKEYFPBW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.19
Rot. Bonds1

About 5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline

5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline (PubChem CID 62912142) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline
PubChem CID62912142
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline
SMILESCc1ccc(N2CCOCC2(C)C)cc1N
InChIInChI=1S/C13H20N2O/c1-10-4-5-11(8-12(10)14)15-6-7-16-9-13(15,2)3/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyQBUQMBFKEYFPBW-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.19
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

[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine
CID 62135733
2-[2-amino-5-(3,3-dimethylmorpholin-4-yl)phenyl]acetonitrile
CID 102624003
2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine
CID 63786701
1-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]-N-methylmethanamine
CID 62135734
(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61428416
(1R)-1-[4-(3,3-dimethylmorpholin-4-yl)phenyl]ethanamine
CID 78934940
4-[4-(chloromethyl)phenyl]-3,3-dimethylmorpholine
CID 61432795
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637672
5-(4,4-dimethylazepan-1-yl)-2-methylaniline
CID 65283379
1-[5-(3,3-dimethylmorpholin-4-yl)-2-nitrophenyl]ethanone
CID 104613551
5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine
CID 61429931

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline?
The IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline (CID 62912142) is 5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline.
What is the SMILES notation for 5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline?
The canonical SMILES for 5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline is Cc1ccc(N2CCOCC2(C)C)cc1N.
What is the InChIKey of 5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline?
The InChIKey is QBUQMBFKEYFPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-5-11(8-12(10)14)15-6-7-16-9-13(15,2)3/h4-5,8H,6-7,9,14H2,1-3H3.
What are the key properties of 5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline?
5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline has a molecular weight of 220.32 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline is sourced from PubChem (CID 62912142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).