2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline

C14H22N2O — CID 62385324

IUPAC2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)CC1CCOCC1
InChIInChI=1S/C14H22N2O/c1-16(10-12-6-8-17-9-7-12)11-13-4-2-3-5-14(13)15/h2-5,12H,6-11,15H2,1H3
InChIKeyXGSIHFOTMBBIBY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.13
Rot. Bonds4

About 2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline

2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline (PubChem CID 62385324) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
PubChem CID62385324
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)CC1CCOCC1
InChIInChI=1S/C14H22N2O/c1-16(10-12-6-8-17-9-7-12)11-13-4-2-3-5-14(13)15/h2-5,12H,6-11,15H2,1H3
InChIKeyXGSIHFOTMBBIBY-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385506
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 79582408
5-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 55227188
[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]boronic acid
CID 63713504
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine
CID 63711975
N'-hydroxy-2-[[methyl(oxan-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76951557
N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115464114
2-fluoro-3-[[methyl(oxan-4-ylmethyl)amino]methyl]benzoic acid
CID 107119509
N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63725564
3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine
CID 63657165

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline?
The IUPAC name of 2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline (CID 62385324) is 2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline is CN(Cc1ccccc1N)CC1CCOCC1.
What is the InChIKey of 2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline?
The InChIKey is XGSIHFOTMBBIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(10-12-6-8-17-9-7-12)11-13-4-2-3-5-14(13)15/h2-5,12H,6-11,15H2,1H3.
What are the key properties of 2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline?
2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 62385324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).