3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline

C14H22N2O2 — CID 79171120

IUPAC3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCOCc1cccc(NCC2CN(C)CCO2)c1
InChIInChI=1S/C14H22N2O2/c1-16-6-7-18-14(10-16)9-15-13-5-3-4-12(8-13)11-17-2/h3-5,8,14-15H,6-7,9-11H2,1-2H3
InChIKeyQAHSWAZRQNITDO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.58
Rot. Bonds5

About 3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline

3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline (PubChem CID 79171120) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
PubChem CID79171120
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCOCc1cccc(NCC2CN(C)CCO2)c1
InChIInChI=1S/C14H22N2O2/c1-16-6-7-18-14(10-16)9-15-13-5-3-4-12(8-13)11-17-2/h3-5,8,14-15H,6-7,9-11H2,1-2H3
InChIKeyQAHSWAZRQNITDO-UHFFFAOYSA-N
XLogP1.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655260
3-ethynyl-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172463
3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172561
3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
CID 43672256
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
1-(4-methylmorpholin-2-yl)-N-phenylmethoxymethanamine
CID 79172103
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79610673
3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707110
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 79171600
tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate
CID 97255978

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline (CID 79171120) is 3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline is COCc1cccc(NCC2CN(C)CCO2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The InChIKey is QAHSWAZRQNITDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16-6-7-18-14(10-16)9-15-13-5-3-4-12(8-13)11-17-2/h3-5,8,14-15H,6-7,9-11H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline has a molecular weight of 250.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 79171120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).