2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine

C13H20Cl2N2O — CID 83941186

IUPAC2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
SMILESCCOc1c(Cl)cc(Cl)cc1CCC(CN)CN
InChIInChI=1S/C13H20Cl2N2O/c1-2-18-13-10(4-3-9(7-16)8-17)5-11(14)6-12(13)15/h5-6,9H,2-4,7-8,16-17H2,1H3
InChIKeyCLUAPIVZTOBDSC-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.86
Rot. Bonds7

About 2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine

2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine (PubChem CID 83941186) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
PubChem CID83941186
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
SMILESCCOc1c(Cl)cc(Cl)cc1CCC(CN)CN
InChIInChI=1S/C13H20Cl2N2O/c1-2-18-13-10(4-3-9(7-16)8-17)5-11(14)6-12(13)15/h5-6,9H,2-4,7-8,16-17H2,1H3
InChIKeyCLUAPIVZTOBDSC-UHFFFAOYSA-N
XLogP2.86
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83943406
2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
CID 83941330
4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924959
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol
CID 83941378
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
CID 83941376
3-(3,5-dichloro-2-ethoxyphenyl)propyl thiocyanate
CID 112719473
1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene
CID 83941256
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
CID 83941333
1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
CID 170863805

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine (CID 83941186) is 2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine is CCOc1c(Cl)cc(Cl)cc1CCC(CN)CN.
What is the InChIKey of 2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine?
The InChIKey is CLUAPIVZTOBDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O/c1-2-18-13-10(4-3-9(7-16)8-17)5-11(14)6-12(13)15/h5-6,9H,2-4,7-8,16-17H2,1H3.
What are the key properties of 2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine?
2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine has a molecular weight of 291.22 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83941186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).