1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

C14H24N2O2 — CID 116954007

IUPAC1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(c1ccc(OC)c(OC)c1)C(C)(C)NC
InChIInChI=1S/C14H24N2O2/c1-14(2,16-4)13(15-3)10-7-8-11(17-5)12(9-10)18-6/h7-9,13,15-16H,1-6H3
InChIKeyYUQPRSXMZUPFSC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.96
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 116954007) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID116954007
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(c1ccc(OC)c(OC)c1)C(C)(C)NC
InChIInChI=1S/C14H24N2O2/c1-14(2,16-4)13(15-3)10-7-8-11(17-5)12(9-10)18-6/h7-9,13,15-16H,1-6H3
InChIKeyYUQPRSXMZUPFSC-UHFFFAOYSA-N
XLogP1.96
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954012
1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854343
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
[1-(3,4-dimethoxyphenyl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274332
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
(2R)-2-[[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]amino]propan-1-ol
CID 136588867
3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile
CID 116955693
1-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481161
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1-(3,4-dimethoxyphenyl)-1-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105240484
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 43487653

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 116954007) is 1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is CNC(c1ccc(OC)c(OC)c1)C(C)(C)NC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is YUQPRSXMZUPFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,16-4)13(15-3)10-7-8-11(17-5)12(9-10)18-6/h7-9,13,15-16H,1-6H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 116954007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).