4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine

C13H22N2O — CID 65376497

IUPAC4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine
SMILESCOCCC(C)(CN)Nc1ccc(C)cc1
InChIInChI=1S/C13H22N2O/c1-11-4-6-12(7-5-11)15-13(2,10-14)8-9-16-3/h4-7,15H,8-10,14H2,1-3H3
InChIKeyJCZGAJZXUAMFTO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.16
Rot. Bonds6

About 4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine

4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine (PubChem CID 65376497) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine
PubChem CID65376497
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine
SMILESCOCCC(C)(CN)Nc1ccc(C)cc1
InChIInChI=1S/C13H22N2O/c1-11-4-6-12(7-5-11)15-13(2,10-14)8-9-16-3/h4-7,15H,8-10,14H2,1-3H3
InChIKeyJCZGAJZXUAMFTO-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65384910
4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 65378823
2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
CID 65377345
2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65379404
3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine
CID 114831558
2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 65378377
3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 65376955
2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
CID 80557635
ethyl 2-methyl-2-(4-methylanilino)pentanoate
CID 54889848
2-N-(4-bromophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 116535351
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
CID 65385972
methyl 2-methyl-2-(4-methylanilino)hex-5-enoate
CID 113437919

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine (CID 65376497) is 4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine is COCCC(C)(CN)Nc1ccc(C)cc1.
What is the InChIKey of 4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine?
The InChIKey is JCZGAJZXUAMFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-4-6-12(7-5-11)15-13(2,10-14)8-9-16-3/h4-7,15H,8-10,14H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine?
4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 65376497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).