4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline

C14H22N2O — CID 43592942

IUPAC4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline
SMILESCc1cc(CN2CCOC(C)(C)C2)ccc1N
InChIInChI=1S/C14H22N2O/c1-11-8-12(4-5-13(11)15)9-16-6-7-17-14(2,3)10-16/h4-5,8H,6-7,9-10,15H2,1-3H3
InChIKeyHSKRBIUXKZVOIQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds2

About 4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline

4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline (PubChem CID 43592942) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline
PubChem CID43592942
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline
SMILESCc1cc(CN2CCOC(C)(C)C2)ccc1N
InChIInChI=1S/C14H22N2O/c1-11-8-12(4-5-13(11)15)9-16-6-7-17-14(2,3)10-16/h4-5,8H,6-7,9-10,15H2,1-3H3
InChIKeyHSKRBIUXKZVOIQ-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
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

2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 115557043
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-iodoaniline
CID 112750999
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976790
5-[(2,2-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62184542
[5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340796
4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine
CID 86993054
2-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 114048476
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62432060
5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65344066
5-[(2,2-dimethylmorpholin-4-yl)methyl]-N-ethylpyridin-2-amine
CID 62182420
4-[(2,2-dimethylmorpholin-4-yl)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789334
N-[[3-bromo-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 102769860

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline?
The IUPAC name of 4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline (CID 43592942) is 4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline?
The canonical SMILES for 4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline is Cc1cc(CN2CCOC(C)(C)C2)ccc1N.
What is the InChIKey of 4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline?
The InChIKey is HSKRBIUXKZVOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-8-12(4-5-13(11)15)9-16-6-7-17-14(2,3)10-16/h4-5,8H,6-7,9-10,15H2,1-3H3.
What are the key properties of 4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline?
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline is sourced from PubChem (CID 43592942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).