2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine

C11H18N2O — CID 61449915

IUPAC2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
SMILESCOCC(C)N(C)c1ccccc1N
InChIInChI=1S/C11H18N2O/c1-9(8-14-3)13(2)11-7-5-4-6-10(11)12/h4-7,9H,8,12H2,1-3H3
InChIKeyMOWAPPKKXOYANK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.74
Rot. Bonds4

About 2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine

2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine (PubChem CID 61449915) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
PubChem CID61449915
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
SMILESCOCC(C)N(C)c1ccccc1N
InChIInChI=1S/C11H18N2O/c1-9(8-14-3)13(2)11-7-5-4-6-10(11)12/h4-7,9H,8,12H2,1-3H3
InChIKeyMOWAPPKKXOYANK-UHFFFAOYSA-N
XLogP1.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.74
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

4-N-(1-methoxypropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 61450034
(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol
CID 78940310
4-amino-3-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 104711661
2-[(1S)-1-aminoethyl]-3-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188889
2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61116591
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618
4-[(1S)-1-aminoethyl]-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188888
2-chloro-6-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 55211054
5-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylpyridin-2-amine
CID 61450095
2-fluoro-N'-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 79519343
2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 114889558
2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 106453609

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine (CID 61449915) is 2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine is COCC(C)N(C)c1ccccc1N.
What is the InChIKey of 2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is MOWAPPKKXOYANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(8-14-3)13(2)11-7-5-4-6-10(11)12/h4-7,9H,8,12H2,1-3H3.
What are the key properties of 2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine?
2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 61449915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).