5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol

C16H17Cl2NO2 — CID 107704995

IUPAC5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol
SMILESCC(NCCc1ccc(Cl)cc1Cl)c1cc(O)cc(O)c1
InChIInChI=1S/C16H17Cl2NO2/c1-10(12-6-14(20)9-15(21)7-12)19-5-4-11-2-3-13(17)8-16(11)18/h2-3,6-10,19-21H,4-5H2,1H3
InChIKeyULRJMGBJGDYEGP-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.30
Rot. Bonds5

About 5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol

5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol (PubChem CID 107704995) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol
PubChem CID107704995
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol
SMILESCC(NCCc1ccc(Cl)cc1Cl)c1cc(O)cc(O)c1
InChIInChI=1S/C16H17Cl2NO2/c1-10(12-6-14(20)9-15(21)7-12)19-5-4-11-2-3-13(17)8-16(11)18/h2-3,6-10,19-21H,4-5H2,1H3
InChIKeyULRJMGBJGDYEGP-UHFFFAOYSA-N
XLogP4.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43102822
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43099502
N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 28532239
1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 63422466
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
CID 43202444
4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline
CID 130243936
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629500
N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine
CID 43099770
4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol
CID 61238201
5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol (CID 107704995) is 5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol is CC(NCCc1ccc(Cl)cc1Cl)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol?
The InChIKey is ULRJMGBJGDYEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-10(12-6-14(20)9-15(21)7-12)19-5-4-11-2-3-13(17)8-16(11)18/h2-3,6-10,19-21H,4-5H2,1H3.
What are the key properties of 5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol?
5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol has a molecular weight of 326.22 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107704995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).