2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine

C13H20N2O — CID 43726415

IUPAC2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CCOCC1
InChIInChI=1S/C13H20N2O/c1-15(2)13-6-4-3-5-12(13)14-11-7-9-16-10-8-11/h3-6,11,14H,7-10H2,1-2H3
InChIKeyHGFXACXXCTUADH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.34
Rot. Bonds3

About 2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine

2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine (PubChem CID 43726415) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
PubChem CID43726415
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CCOCC1
InChIInChI=1S/C13H20N2O/c1-15(2)13-6-4-3-5-12(13)14-11-7-9-16-10-8-11/h3-6,11,14H,7-10H2,1-2H3
InChIKeyHGFXACXXCTUADH-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43739695
2-N,2-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,2-diamine
CID 106759893
2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine
CID 43726465
N-(2-fluorophenyl)oxan-4-amine
CID 43608428
1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64596233
N-(2-bromophenyl)oxan-4-amine;hydrochloride
CID 146049754
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115904143
4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
CID 43616833
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol
CID 106759729

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine (CID 43726415) is 2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine is CN(C)c1ccccc1NC1CCOCC1.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine?
The InChIKey is HGFXACXXCTUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(2)13-6-4-3-5-12(13)14-11-7-9-16-10-8-11/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine?
2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 43726415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).