5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol

C16H19BrN2O2 — CID 107705933

IUPAC5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
SMILESCC(Nc1cc(Br)ccc1N(C)C)c1cc(O)cc(O)c1
InChIInChI=1S/C16H19BrN2O2/c1-10(11-6-13(20)9-14(21)7-11)18-15-8-12(17)4-5-16(15)19(2)3/h4-10,18,20-21H,1-3H3
InChIKeyIVHKDSBOQCMOFM-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.10
Rot. Bonds4

About 5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol

5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol (PubChem CID 107705933) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
PubChem CID107705933
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
SMILESCC(Nc1cc(Br)ccc1N(C)C)c1cc(O)cc(O)c1
InChIInChI=1S/C16H19BrN2O2/c1-10(11-6-13(20)9-14(21)7-11)18-15-8-12(17)4-5-16(15)19(2)3/h4-10,18,20-21H,1-3H3
InChIKeyIVHKDSBOQCMOFM-UHFFFAOYSA-N
XLogP4.10
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol
CID 43746258
5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
CID 107705827
2-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107710730
2-[5-bromo-2-(dimethylamino)anilino]propanoic acid
CID 66174739
5-bromo-2-[1-(3,5-dihydroxyphenyl)ethylamino]benzonitrile
CID 107707024
4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 102868983
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
5-[1-(4-bromo-2-nitroanilino)ethyl]benzene-1,3-diol
CID 107705938
4-bromo-1-N,1-N-dimethyl-2-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 43746306
5-[1-(2-bromo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107704870
4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43791142
4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60782071

Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol (CID 107705933) is 5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol is CC(Nc1cc(Br)ccc1N(C)C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol?
The InChIKey is IVHKDSBOQCMOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10(11-6-13(20)9-14(21)7-11)18-15-8-12(17)4-5-16(15)19(2)3/h4-10,18,20-21H,1-3H3.
What are the key properties of 5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol?
5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol has a molecular weight of 351.24 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107705933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).