1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine

C14H24N2O2 — CID 116948303

IUPAC1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCNC(c1c(C)cc(OC)cc1OC)C(C)(C)N
InChIInChI=1S/C14H24N2O2/c1-9-7-10(17-5)8-11(18-6)12(9)13(16-4)14(2,3)15/h7-8,13,16H,15H2,1-6H3
InChIKeyBNCKTOCZUGVJJV-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.01
Rot. Bonds5

About 1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine

1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 116948303) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
PubChem CID116948303
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCNC(c1c(C)cc(OC)cc1OC)C(C)(C)N
InChIInChI=1S/C14H24N2O2/c1-9-7-10(17-5)8-11(18-6)12(9)13(16-4)14(2,3)15/h7-8,13,16H,15H2,1-6H3
InChIKeyBNCKTOCZUGVJJV-UHFFFAOYSA-N
XLogP2.01
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904559
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980
1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116962144
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
N,2,2-trimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 62679934
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropan-1-amine
CID 106680743
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859497
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine (CID 116948303) is 1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine is CNC(c1c(C)cc(OC)cc1OC)C(C)(C)N.
What is the InChIKey of 1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is BNCKTOCZUGVJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-7-10(17-5)8-11(18-6)12(9)13(16-4)14(2,3)15/h7-8,13,16H,15H2,1-6H3.
What are the key properties of 1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 116948303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).