2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline

C14H22N2O — CID 43591938

IUPAC2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)CC1CCCCO1
InChIInChI=1S/C14H22N2O/c1-16(11-13-7-4-5-9-17-13)10-12-6-2-3-8-14(12)15/h2-3,6,8,13H,4-5,7,9-11,15H2,1H3
InChIKeyCUXXLWFGEQPQCC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds4

About 2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline

2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline (PubChem CID 43591938) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
PubChem CID43591938
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)CC1CCCCO1
InChIInChI=1S/C14H22N2O/c1-16(11-13-7-4-5-9-17-13)10-12-6-2-3-8-14(12)15/h2-3,6,8,13H,4-5,7,9-11,15H2,1H3
InChIKeyCUXXLWFGEQPQCC-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.27
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-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline
CID 43591944
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline
CID 107274354
2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385324
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
3-fluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 63331273
N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557383

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline (CID 43591938) is 2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline is CN(Cc1ccccc1N)CC1CCCCO1.
What is the InChIKey of 2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline?
The InChIKey is CUXXLWFGEQPQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(11-13-7-4-5-9-17-13)10-12-6-2-3-8-14(12)15/h2-3,6,8,13H,4-5,7,9-11,15H2,1H3.
What are the key properties of 2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline?
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43591938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).