4-bromo-2-(diethylamino)phenol

C10H14BrNO — CID 174675295

IUPAC4-bromo-2-(diethylamino)phenol
SMILESCCN(CC)c1cc(Br)ccc1O
InChIInChI=1S/C10H14BrNO/c1-3-12(4-2)9-7-8(11)5-6-10(9)13/h5-7,13H,3-4H2,1-2H3
InChIKeyFUIZOUJSCNGJJR-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.00
Rot. Bonds3

About 4-bromo-2-(diethylamino)phenol

4-bromo-2-(diethylamino)phenol (PubChem CID 174675295) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-bromo-2-(diethylamino)phenol.

Molecular Properties

Compound Name4-bromo-2-(diethylamino)phenol
PubChem CID174675295
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-bromo-2-(diethylamino)phenol
SMILESCCN(CC)c1cc(Br)ccc1O
InChIInChI=1S/C10H14BrNO/c1-3-12(4-2)9-7-8(11)5-6-10(9)13/h5-7,13H,3-4H2,1-2H3
InChIKeyFUIZOUJSCNGJJR-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
2-(diethylamino)-4,5-dimethylphenol
CID 19419378
2-(diethylamino)phenol;phenol
CID 174799209
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083804
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035
2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985
6-bromo-N,N-diethyl-2-methylquinolin-4-amine
CID 110434316
2,4-dibromophenol;methanol
CID 174690931
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
4-bromo-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 61448927

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(diethylamino)phenol?
The IUPAC name of 4-bromo-2-(diethylamino)phenol (CID 174675295) is 4-bromo-2-(diethylamino)phenol.
What is the SMILES notation for 4-bromo-2-(diethylamino)phenol?
The canonical SMILES for 4-bromo-2-(diethylamino)phenol is CCN(CC)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-(diethylamino)phenol?
The InChIKey is FUIZOUJSCNGJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-3-12(4-2)9-7-8(11)5-6-10(9)13/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-(diethylamino)phenol?
4-bromo-2-(diethylamino)phenol has a molecular weight of 244.13 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(diethylamino)phenol is sourced from PubChem (CID 174675295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).