1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

C16H28N2O — CID 116906021

IUPAC1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(C(CNC(C)C)N(C)C)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-11(2)17-10-15(18(5)6)14-8-9-16(19-7)13(4)12(14)3/h8-9,11,15,17H,10H2,1-7H3
InChIKeyFVXUEBNIHQJKPR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.91
Rot. Bonds6

About 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116906021) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID116906021
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(C(CNC(C)C)N(C)C)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-11(2)17-10-15(18(5)6)14-8-9-16(19-7)13(4)12(14)3/h8-9,11,15,17H,10H2,1-7H3
InChIKeyFVXUEBNIHQJKPR-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905986
4-(dimethylamino)-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 112519687
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905987
1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine
CID 116914495
2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
CID 82476697
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene
CID 83939698
2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
CID 116964709
N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116935200
2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 116911478

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (CID 116906021) is 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is COc1ccc(C(CNC(C)C)N(C)C)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is FVXUEBNIHQJKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)17-10-15(18(5)6)14-8-9-16(19-7)13(4)12(14)3/h8-9,11,15,17H,10H2,1-7H3.
What are the key properties of 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116906021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).