1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine

C12H20N2O — CID 82283769

IUPAC1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(C)cc1C(CN)N(C)C
InChIInChI=1S/C12H20N2O/c1-9-5-6-12(15-4)10(7-9)11(8-13)14(2)3/h5-7,11H,8,13H2,1-4H3
InChIKeyVPIQTLXFUREYMY-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.57
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine

1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 82283769) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID82283769
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(C)cc1C(CN)N(C)C
InChIInChI=1S/C12H20N2O/c1-9-5-6-12(15-4)10(7-9)11(8-13)14(2)3/h5-7,11H,8,13H2,1-4H3
InChIKeyVPIQTLXFUREYMY-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2-methoxy-5-methylphenyl)-N,N-dimethylethanamine
CID 116907394
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82286999
1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909202
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
2-[fluoro-(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443810
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141454
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
2-(4-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82023273
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine (CID 82283769) is 1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine is COc1ccc(C)cc1C(CN)N(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is VPIQTLXFUREYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-5-6-12(15-4)10(7-9)11(8-13)14(2)3/h5-7,11H,8,13H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine?
1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 82283769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).