[2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol

C15H24BrNO3 — CID 82951904

IUPAC[2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol
SMILESCCOCCN(CCOCC)c1cc(Br)ccc1CO
InChIInChI=1S/C15H24BrNO3/c1-3-19-9-7-17(8-10-20-4-2)15-11-14(16)6-5-13(15)12-18/h5-6,11,18H,3-4,7-10,12H2,1-2H3
InChIKeyMYCNEWJLUDKAFU-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.82
Rot. Bonds10

About [2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol

[2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol (PubChem CID 82951904) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is [2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol.

Molecular Properties

Compound Name[2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol
PubChem CID82951904
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name[2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol
SMILESCCOCCN(CCOCC)c1cc(Br)ccc1CO
InChIInChI=1S/C15H24BrNO3/c1-3-19-9-7-17(8-10-20-4-2)15-11-14(16)6-5-13(15)12-18/h5-6,11,18H,3-4,7-10,12H2,1-2H3
InChIKeyMYCNEWJLUDKAFU-UHFFFAOYSA-N
XLogP2.82
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63691375
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114904069
2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
CID 113467895
2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81067248
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol
CID 61424896
[2-[bis(2-ethoxyethyl)amino]-3-pyridinyl]methanol
CID 82960882
2-[5-bromo-2-(hydroxymethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 43375136
[4-bromo-2-(N-ethylanilino)phenyl]methanol
CID 43365038
1-[5-bromo-2-(hydroxymethyl)-N-methylanilino]-3-methoxypropan-2-ol
CID 54994295
[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol
CID 61445229

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol?
The IUPAC name of [2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol (CID 82951904) is [2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol.
What is the SMILES notation for [2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol?
The canonical SMILES for [2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol is CCOCCN(CCOCC)c1cc(Br)ccc1CO.
What is the InChIKey of [2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol?
The InChIKey is MYCNEWJLUDKAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-3-19-9-7-17(8-10-20-4-2)15-11-14(16)6-5-13(15)12-18/h5-6,11,18H,3-4,7-10,12H2,1-2H3.
What are the key properties of [2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol?
[2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol has a molecular weight of 346.27 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol is sourced from PubChem (CID 82951904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).