1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine

C12H20N2O2 — CID 62066206

IUPAC1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H20N2O2/c1-4-14-10(8-13)9-5-6-11(15-2)12(7-9)16-3/h5-7,10,14H,4,8,13H2,1-3H3
InChIKeyLBCVPHNKYLVRRS-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.31
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine

1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine (PubChem CID 62066206) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
PubChem CID62066206
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H20N2O2/c1-4-14-10(8-13)9-5-6-11(15-2)12(7-9)16-3/h5-7,10,14H,4,8,13H2,1-3H3
InChIKeyLBCVPHNKYLVRRS-UHFFFAOYSA-N
XLogP1.31
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65378384
2-butylsulfanyl-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 64609867
methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
CID 60788044
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83175883
N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173203
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine (CID 62066206) is 1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine is CCNC(CN)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine?
The InChIKey is LBCVPHNKYLVRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-14-10(8-13)9-5-6-11(15-2)12(7-9)16-3/h5-7,10,14H,4,8,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine?
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 62066206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).