1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine

C13H22N2O — CID 116904570

IUPAC1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
SMILESCOc1ccccc1C(N(C)C)C(C)(C)N
InChIInChI=1S/C13H22N2O/c1-13(2,14)12(15(3)4)10-8-6-7-9-11(10)16-5/h6-9,12H,14H2,1-5H3
InChIKeyGWPYENMGHWGGRE-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds4

About 1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine

1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine (PubChem CID 116904570) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
PubChem CID116904570
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
SMILESCOc1ccccc1C(N(C)C)C(C)(C)N
InChIInChI=1S/C13H22N2O/c1-13(2,14)12(15(3)4)10-8-6-7-9-11(10)16-5/h6-9,12H,14H2,1-5H3
InChIKeyGWPYENMGHWGGRE-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 173474378
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
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1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 70921714
1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
CID 116911329
(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162425
1-N,1-N,2-trimethyl-1-pyridin-2-ylpropane-1,2-diamine
CID 116904567
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
[2-methoxy-1-(2-methoxyphenyl)-2-methylpropyl]hydrazine
CID 105245221
bis(2-methoxyphenyl)methylhydrazine
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(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine (CID 116904570) is 1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine is COc1ccccc1C(N(C)C)C(C)(C)N.
What is the InChIKey of 1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The InChIKey is GWPYENMGHWGGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,14)12(15(3)4)10-8-6-7-9-11(10)16-5/h6-9,12H,14H2,1-5H3.
What are the key properties of 1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 116904570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).