1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine

C12H20N2O — CID 116932463

IUPAC1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccc(OC)c(C(N)CNC)c1
InChIInChI=1S/C12H20N2O/c1-4-9-5-6-12(15-3)10(7-9)11(13)8-14-2/h5-7,11,14H,4,8,13H2,1-3H3
InChIKeyFVOVMXSTKAWYOP-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.48
Rot. Bonds5

About 1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine

1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 116932463) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID116932463
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccc(OC)c(C(N)CNC)c1
InChIInChI=1S/C12H20N2O/c1-4-9-5-6-12(15-3)10(7-9)11(13)8-14-2/h5-7,11,14H,4,8,13H2,1-3H3
InChIKeyFVOVMXSTKAWYOP-UHFFFAOYSA-N
XLogP1.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948870
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
4-amino-4-(5-ethyl-2-methoxyphenyl)butanenitrile
CID 116940003
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300
5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
CID 116940702
N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905892
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine (CID 116932463) is 1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine is CCc1ccc(OC)c(C(N)CNC)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is FVOVMXSTKAWYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-9-5-6-12(15-3)10(7-9)11(13)8-14-2/h5-7,11,14H,4,8,13H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine?
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 116932463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).