N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline

C11H15NO2 — CID 146186265

IUPACN-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline
SMILESCNc1ccc(COC2OC2C)cc1
InChIInChI=1S/C11H15NO2/c1-8-11(14-8)13-7-9-3-5-10(12-2)6-4-9/h3-6,8,11-12H,7H2,1-2H3
InChIKeyZXTCGWIKVSVGFM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.99
Rot. Bonds4

About N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline

N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline (PubChem CID 146186265) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline
PubChem CID146186265
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline
SMILESCNc1ccc(COC2OC2C)cc1
InChIInChI=1S/C11H15NO2/c1-8-11(14-8)13-7-9-3-5-10(12-2)6-4-9/h3-6,8,11-12H,7H2,1-2H3
InChIKeyZXTCGWIKVSVGFM-UHFFFAOYSA-N
XLogP1.99
TPSA33.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(2-iodoethoxymethyl)-N-methylaniline
CID 126607172
3-[(4-fluorophenyl)methoxy]-4-methoxy-N,2,2-trimethyl-3,4-dihydrochromen-6-amine
CID 20803605
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729
4-amino-2-methyl-5-phenylmethoxyoxolane-3-carboxylic acid
CID 14161425
[4-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
(2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane
CID 100966838
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
ethane;[4-(methylamino)phenyl]methanethiol
CID 143570077
ethane;4-ethyl-N-methylaniline;methane
CID 142034195
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate
CID 142474647
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline?
The IUPAC name of N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline (CID 146186265) is N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline.
What is the SMILES notation for N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline?
The canonical SMILES for N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline is CNc1ccc(COC2OC2C)cc1.
What is the InChIKey of N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline?
The InChIKey is ZXTCGWIKVSVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-11(14-8)13-7-9-3-5-10(12-2)6-4-9/h3-6,8,11-12H,7H2,1-2H3.
What are the key properties of N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline?
N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline has a molecular weight of 193.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-methyloxiran-2-yl)oxymethyl]aniline is sourced from PubChem (CID 146186265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).