[4-bromo-2-(N-ethylanilino)phenyl]methanol

C15H16BrNO — CID 43365038

IUPAC[4-bromo-2-(N-ethylanilino)phenyl]methanol
SMILESCCN(c1ccccc1)c1cc(Br)ccc1CO
InChIInChI=1S/C15H16BrNO/c1-2-17(14-6-4-3-5-7-14)15-10-13(16)9-8-12(15)11-18/h3-10,18H,2,11H2,1H3
InChIKeyDKOVUKHIZVTPES-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.10
Rot. Bonds4

About [4-bromo-2-(N-ethylanilino)phenyl]methanol

[4-bromo-2-(N-ethylanilino)phenyl]methanol (PubChem CID 43365038) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is [4-bromo-2-(N-ethylanilino)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(N-ethylanilino)phenyl]methanol
PubChem CID43365038
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name[4-bromo-2-(N-ethylanilino)phenyl]methanol
SMILESCCN(c1ccccc1)c1cc(Br)ccc1CO
InChIInChI=1S/C15H16BrNO/c1-2-17(14-6-4-3-5-7-14)15-10-13(16)9-8-12(15)11-18/h3-10,18H,2,11H2,1H3
InChIKeyDKOVUKHIZVTPES-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(N-ethylanilino)phenyl]methanol?
The IUPAC name of [4-bromo-2-(N-ethylanilino)phenyl]methanol (CID 43365038) is [4-bromo-2-(N-ethylanilino)phenyl]methanol.
What is the SMILES notation for [4-bromo-2-(N-ethylanilino)phenyl]methanol?
The canonical SMILES for [4-bromo-2-(N-ethylanilino)phenyl]methanol is CCN(c1ccccc1)c1cc(Br)ccc1CO.
What is the InChIKey of [4-bromo-2-(N-ethylanilino)phenyl]methanol?
The InChIKey is DKOVUKHIZVTPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-2-17(14-6-4-3-5-7-14)15-10-13(16)9-8-12(15)11-18/h3-10,18H,2,11H2,1H3.
What are the key properties of [4-bromo-2-(N-ethylanilino)phenyl]methanol?
[4-bromo-2-(N-ethylanilino)phenyl]methanol has a molecular weight of 306.20 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(N-ethylanilino)phenyl]methanol is sourced from PubChem (CID 43365038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).