2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine

C13H20N2O — CID 61431770

IUPAC2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
SMILESCN(CC1CCCCO1)c1ccccc1N
InChIInChI=1S/C13H20N2O/c1-15(10-11-6-4-5-9-16-11)13-8-3-2-7-12(13)14/h2-3,7-8,11H,4-6,9-10,14H2,1H3
InChIKeyWSXWKQCNXMVGHM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.27
Rot. Bonds3

About 2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine

2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine (PubChem CID 61431770) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
PubChem CID61431770
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
SMILESCN(CC1CCCCO1)c1ccccc1N
InChIInChI=1S/C13H20N2O/c1-15(10-11-6-4-5-9-16-11)13-8-3-2-7-12(13)14/h2-3,7-8,11H,4-6,9-10,14H2,1H3
InChIKeyWSXWKQCNXMVGHM-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
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-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine
CID 55174589
3-N-methyl-2-nitro-3-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 80796745
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 63059546
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
5-amino-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 61431148
4-N-methyl-4-N-(oxolan-2-ylmethyl)quinoline-4,8-diamine
CID 83061179
2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432188

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine (CID 61431770) is 2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine is CN(CC1CCCCO1)c1ccccc1N.
What is the InChIKey of 2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is WSXWKQCNXMVGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(10-11-6-4-5-9-16-11)13-8-3-2-7-12(13)14/h2-3,7-8,11H,4-6,9-10,14H2,1H3.
What are the key properties of 2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine?
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 61431770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).