N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline

C10H13NO — CID 38989172

IUPACN-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
SMILESCN(C[C@@H]1CO1)c1ccccc1
InChIInChI=1S/C10H13NO/c1-11(7-10-8-12-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1
InChIKeyNEKXUGUSHFDYLZ-SNVBAGLBSA-N
MW163.22 g/mol
LogP1.52
Rot. Bonds3

About N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline

N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline (PubChem CID 38989172) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
PubChem CID38989172
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
SMILESCN(C[C@@H]1CO1)c1ccccc1
InChIInChI=1S/C10H13NO/c1-11(7-10-8-12-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1
InChIKeyNEKXUGUSHFDYLZ-SNVBAGLBSA-N
XLogP1.52
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(oxiran-2-ylmethyl)aniline
CID 16412
N-methyl-N-(oxetan-3-ylmethyl)aniline
CID 130694307
N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 55070066
N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline
CID 62440143
1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine
CID 22572414
2,3,4,5,6-pentachloro-N-(oxiran-2-ylmethyl)-N-phenylaniline
CID 88779627
N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline
CID 140762923
N,2,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
CID 130492719
N-[(3-aminocyclopentyl)methyl]-N-methylaniline
CID 66008204
N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine
CID 141216576
N-[[3,5-bis[(N-methylanilino)methyl]cyclohexyl]methyl]-N-phenylhydroxylamine;ethane
CID 143692856
N-[[2-[[bis(oxiran-2-ylmethyl)amino]methyl]phenyl]methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 18620359

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline?
The IUPAC name of N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline (CID 38989172) is N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline is CN(C[C@@H]1CO1)c1ccccc1.
What is the InChIKey of N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline?
The InChIKey is NEKXUGUSHFDYLZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO/c1-11(7-10-8-12-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1.
What are the key properties of N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline?
N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline has a molecular weight of 163.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline is sourced from PubChem (CID 38989172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).