1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C13H22N2O — CID 16782629

IUPAC1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(C(N)CN(C)C(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-10(2)15(3)9-13(14)11-5-7-12(16-4)8-6-11/h5-8,10,13H,9,14H2,1-4H3
InChIKeyJLNWMSPQSNDSHU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds5

About 1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 16782629) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID16782629
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(C(N)CN(C)C(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-10(2)15(3)9-13(14)11-5-7-12(16-4)8-6-11/h5-8,10,13H,9,14H2,1-4H3
InChIKeyJLNWMSPQSNDSHU-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-(4-methoxyphenyl)-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
CID 43572006
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 61451426
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55016192
1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487404
2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206777
1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 16781513
1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine
CID 43127754
1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520687
1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000916
3-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-2-methylpropanenitrile
CID 55016148

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 16782629) is 1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is COc1ccc(C(N)CN(C)C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is JLNWMSPQSNDSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)15(3)9-13(14)11-5-7-12(16-4)8-6-11/h5-8,10,13H,9,14H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 16782629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).