1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine

C15H26N2O — CID 116904598

IUPAC1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
SMILESCOc1c(C)c(C)cc(C)c1C(CCN)N(C)C
InChIInChI=1S/C15H26N2O/c1-10-9-11(2)14(15(18-6)12(10)3)13(7-8-16)17(4)5/h9,13H,7-8,16H2,1-6H3
InChIKeyJBRBRTKIORKBGP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.57
Rot. Bonds5

About 1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine

1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine (PubChem CID 116904598) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
PubChem CID116904598
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
SMILESCOc1c(C)c(C)cc(C)c1C(CCN)N(C)C
InChIInChI=1S/C15H26N2O/c1-10-9-11(2)14(15(18-6)12(10)3)13(7-8-16)17(4)5/h9,13H,7-8,16H2,1-6H3
InChIKeyJBRBRTKIORKBGP-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-4-(2-methoxy-3,4,6-trimethylphenyl)butanenitrile
CID 116910149
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
CID 116835676
1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904584
2-amino-3-(dimethylamino)-3-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116911647
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 116905197
N,N-dimethyl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
CID 82286430
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952888
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanethiol
CID 116830729

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine (CID 116904598) is 1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine is COc1c(C)c(C)cc(C)c1C(CCN)N(C)C.
What is the InChIKey of 1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine?
The InChIKey is JBRBRTKIORKBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10-9-11(2)14(15(18-6)12(10)3)13(7-8-16)17(4)5/h9,13H,7-8,16H2,1-6H3.
What are the key properties of 1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine?
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116904598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).