4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine

C16H28N2O2 — CID 66180213

IUPAC4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
SMILESCOC(CC(C)(CN)N(C)Cc1cccc(C)c1)OC
InChIInChI=1S/C16H28N2O2/c1-13-7-6-8-14(9-13)11-18(3)16(2,12-17)10-15(19-4)20-5/h6-9,15H,10-12,17H2,1-5H3
InChIKeyIEXHOBPQFFHIFD-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.15
Rot. Bonds8

About 4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine

4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine (PubChem CID 66180213) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
PubChem CID66180213
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
SMILESCOC(CC(C)(CN)N(C)Cc1cccc(C)c1)OC
InChIInChI=1S/C16H28N2O2/c1-13-7-6-8-14(9-13)11-18(3)16(2,12-17)10-15(19-4)20-5/h6-9,15H,10-12,17H2,1-5H3
InChIKeyIEXHOBPQFFHIFD-UHFFFAOYSA-N
XLogP2.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-fluoro-2,2-dimethoxy-N-[(3-methylphenyl)methyl]ethanamine
CID 174632822
3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 66178471
2-N-ethyl-2-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 62007965
2-N-[(3-bromophenyl)methyl]-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
CID 66179643
3,3,3-trifluoro-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61413979
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 116501648
4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine
CID 66180810
2-methyl-2-[(3-methylphenyl)methoxy]propan-1-amine
CID 65053223
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
[1,1-dimethoxy-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105245974

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine (CID 66180213) is 4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine is COC(CC(C)(CN)N(C)Cc1cccc(C)c1)OC.
What is the InChIKey of 4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The InChIKey is IEXHOBPQFFHIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13-7-6-8-14(9-13)11-18(3)16(2,12-17)10-15(19-4)20-5/h6-9,15H,10-12,17H2,1-5H3.
What are the key properties of 4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 66180213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).