3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine

C12H20N2O — CID 65376955

IUPAC3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine
SMILESCOCC(C)(CN)Nc1cccc(C)c1
InChIInChI=1S/C12H20N2O/c1-10-5-4-6-11(7-10)14-12(2,8-13)9-15-3/h4-7,14H,8-9,13H2,1-3H3
InChIKeyJHDOWTPUMOAMSW-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.77
Rot. Bonds5

About 3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine

3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine (PubChem CID 65376955) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine
PubChem CID65376955
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine
SMILESCOCC(C)(CN)Nc1cccc(C)c1
InChIInChI=1S/C12H20N2O/c1-10-5-4-6-11(7-10)14-12(2,8-13)9-15-3/h4-7,14H,8-9,13H2,1-3H3
InChIKeyJHDOWTPUMOAMSW-UHFFFAOYSA-N
XLogP1.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 65378823
methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
CID 62535893
2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine
CID 65377532
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 65376497
methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
CID 60994642
1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine
CID 57314053
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(3-methylphenyl)urea
CID 90501186
2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
CID 61047781
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
N-(1,3-dimethoxypropan-2-yl)-3-methylaniline
CID 13275408
2-methyl-2-(3-methylanilino)propanenitrile
CID 60719838

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine (CID 65376955) is 3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine is COCC(C)(CN)Nc1cccc(C)c1.
What is the InChIKey of 3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine?
The InChIKey is JHDOWTPUMOAMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-5-4-6-11(7-10)14-12(2,8-13)9-15-3/h4-7,14H,8-9,13H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine?
3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 65376955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).