5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol

C14H13Cl2NO2 — CID 107704974

IUPAC5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H13Cl2NO2/c1-8(9-4-11(18)7-12(19)5-9)17-10-2-3-13(15)14(16)6-10/h2-8,17-19H,1H3
InChIKeyOLSRGJPYEBKNMW-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.58
Rot. Bonds3

About 5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol

5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol (PubChem CID 107704974) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
PubChem CID107704974
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H13Cl2NO2/c1-8(9-4-11(18)7-12(19)5-9)17-10-2-3-13(15)14(16)6-10/h2-8,17-19H,1H3
InChIKeyOLSRGJPYEBKNMW-UHFFFAOYSA-N
XLogP4.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol
CID 107706967
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43109864
5-[1-(3-iodo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107705679
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
CID 107714548
5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol
CID 107707113

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol (CID 107704974) is 5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol is CC(Nc1ccc(Cl)c(Cl)c1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol?
The InChIKey is OLSRGJPYEBKNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-8(9-4-11(18)7-12(19)5-9)17-10-2-3-13(15)14(16)6-10/h2-8,17-19H,1H3.
What are the key properties of 5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol?
5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol has a molecular weight of 298.17 g/mol, XLogP of 4.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107704974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).