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

C17H22N2O — CID 65376503

IUPAC1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(C(CN)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H22N2O/c1-3-20-16-6-4-5-14(11-16)17(12-18)19-15-9-7-13(2)8-10-15/h4-11,17,19H,3,12,18H2,1-2H3
InChIKeyJMUTUNSPUFFLLT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.51
Rot. Bonds6

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

1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 65376503) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID65376503
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(C(CN)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H22N2O/c1-3-20-16-6-4-5-14(11-16)17(12-18)19-15-9-7-13(2)8-10-15/h4-11,17,19H,3,12,18H2,1-2H3
InChIKeyJMUTUNSPUFFLLT-UHFFFAOYSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 107619711
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714
1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65383447
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 65376750
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65378384
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474
N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
CID 20546345

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (CID 65376503) is 1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is CCOc1cccc(C(CN)Nc2ccc(C)cc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is JMUTUNSPUFFLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-20-16-6-4-5-14(11-16)17(12-18)19-15-9-7-13(2)8-10-15/h4-11,17,19H,3,12,18H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65376503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).