1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine

C17H22N2O2 — CID 65378384

IUPAC1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-12-4-7-14(8-5-12)19-15(11-18)13-6-9-16(20-2)17(10-13)21-3/h4-10,15,19H,11,18H2,1-3H3
InChIKeyUJVVILOFYXHJJC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.12
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 65378384) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID65378384
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-12-4-7-14(8-5-12)19-15(11-18)13-6-9-16(20-2)17(10-13)21-3/h4-10,15,19H,11,18H2,1-3H3
InChIKeyUJVVILOFYXHJJC-UHFFFAOYSA-N
XLogP3.12
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377943
2-[4-(1,2-diaminoethyl)-2-methoxyphenoxy]-1-(4-methylanilino)ethanol
CID 170894838
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994
1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65376503
2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol
CID 110902643
ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate
CID 10782581
N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 65385518
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (CID 65378384) is 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is COc1ccc(C(CN)Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is UJVVILOFYXHJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-4-7-14(8-5-12)19-15(11-18)13-6-9-16(20-2)17(10-13)21-3/h4-10,15,19H,11,18H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.12, 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-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65378384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).