4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol

C14H22BrNO — CID 82983837

IUPAC4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol
SMILESCCC(C)CN(CC)Cc1cc(O)ccc1Br
InChIInChI=1S/C14H22BrNO/c1-4-11(3)9-16(5-2)10-12-8-13(17)6-7-14(12)15/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyZEGFJURWQJRUFL-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.02
Rot. Bonds6

About 4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol

4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol (PubChem CID 82983837) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol
PubChem CID82983837
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol
SMILESCCC(C)CN(CC)Cc1cc(O)ccc1Br
InChIInChI=1S/C14H22BrNO/c1-4-11(3)9-16(5-2)10-12-8-13(17)6-7-14(12)15/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyZEGFJURWQJRUFL-UHFFFAOYSA-N
XLogP4.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol?
The IUPAC name of 4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol (CID 82983837) is 4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol.
What is the SMILES notation for 4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol?
The canonical SMILES for 4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol is CCC(C)CN(CC)Cc1cc(O)ccc1Br.
What is the InChIKey of 4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol?
The InChIKey is ZEGFJURWQJRUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-11(3)9-16(5-2)10-12-8-13(17)6-7-14(12)15/h6-8,11,17H,4-5,9-10H2,1-3H3.
What are the key properties of 4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol?
4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol has a molecular weight of 300.24 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol is sourced from PubChem (CID 82983837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).