2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol

C15H23Br2NO — CID 103602726

IUPAC2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol
SMILESCCCCC(CC)CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H23Br2NO/c1-3-5-6-11(4-2)9-18-10-12-7-13(16)15(19)14(17)8-12/h7-8,11,18-19H,3-6,9-10H2,1-2H3
InChIKeyIJJAKZPVSWPZLZ-UHFFFAOYSA-N
MW393.16 g/mol
LogP5.22
Rot. Bonds8

About 2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol

2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol (PubChem CID 103602726) has the molecular formula C15H23Br2NO and a molecular weight of 393.16 g/mol. Its IUPAC name is 2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol
PubChem CID103602726
Molecular FormulaC15H23Br2NO
Molecular Weight393.16 g/mol
Exact Mass391.01
IUPAC Name2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol
SMILESCCCCC(CC)CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H23Br2NO/c1-3-5-6-11(4-2)9-18-10-12-7-13(16)15(19)14(17)8-12/h7-8,11,18-19H,3-6,9-10H2,1-2H3
InChIKeyIJJAKZPVSWPZLZ-UHFFFAOYSA-N
XLogP5.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.16
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
N-[(4,5-dibromothiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 102830883
2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol
CID 107740697
2,6-dibromo-4-[(2-methoxypropylamino)methyl]phenol
CID 107741128
2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
CID 114145275
4-[(2-ethylhexylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202587
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethylhexan-1-amine
CID 43216994
3-chloro-2-[(2-ethylhexylamino)methyl]phenol
CID 113276487
N,2-diethylhexan-1-amine
CID 14272988
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
2-[(2-ethylhexylamino)methyl]-6-methylpyridin-3-ol
CID 78928568
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol (CID 103602726) is 2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol is CCCCC(CC)CNCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol?
The InChIKey is IJJAKZPVSWPZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2NO/c1-3-5-6-11(4-2)9-18-10-12-7-13(16)15(19)14(17)8-12/h7-8,11,18-19H,3-6,9-10H2,1-2H3.
What are the key properties of 2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol?
2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol has a molecular weight of 393.16 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol is sourced from PubChem (CID 103602726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).