4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol

C16H19BrN2O — CID 43746258

IUPAC4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol
SMILESCC(Nc1cc(Br)ccc1N(C)C)c1ccc(O)cc1
InChIInChI=1S/C16H19BrN2O/c1-11(12-4-7-14(20)8-5-12)18-15-10-13(17)6-9-16(15)19(2)3/h4-11,18,20H,1-3H3
InChIKeyLVKXWWBLXDCWCW-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.39
Rot. Bonds4

About 4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol

4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol (PubChem CID 43746258) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol
PubChem CID43746258
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol
SMILESCC(Nc1cc(Br)ccc1N(C)C)c1ccc(O)cc1
InChIInChI=1S/C16H19BrN2O/c1-11(12-4-7-14(20)8-5-12)18-15-10-13(17)6-9-16(15)19(2)3/h4-11,18,20H,1-3H3
InChIKeyLVKXWWBLXDCWCW-UHFFFAOYSA-N
XLogP4.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107705933
2-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107710730
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
2-[5-bromo-2-(dimethylamino)anilino]propanoic acid
CID 66174739
4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 102868983
5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
CID 107705827
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
4-bromo-1-N,1-N-dimethyl-2-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 43746306
4-[1-(2-bromo-4-methylanilino)ethyl]phenol
CID 43191244
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
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol?
The IUPAC name of 4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol (CID 43746258) is 4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol.
What is the SMILES notation for 4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol?
The canonical SMILES for 4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol is CC(Nc1cc(Br)ccc1N(C)C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol?
The InChIKey is LVKXWWBLXDCWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11(12-4-7-14(20)8-5-12)18-15-10-13(17)6-9-16(15)19(2)3/h4-11,18,20H,1-3H3.
What are the key properties of 4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol?
4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol has a molecular weight of 335.25 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol is sourced from PubChem (CID 43746258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).