2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol

C15H24BrNO2 — CID 109380074

IUPAC2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol
SMILESCC(C)C(O)C(C)(C)CNCc1cccc(Br)c1O
InChIInChI=1S/C15H24BrNO2/c1-10(2)14(19)15(3,4)9-17-8-11-6-5-7-12(16)13(11)18/h5-7,10,14,17-19H,8-9H2,1-4H3
InChIKeyDGMFEDZVZDHNOW-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.29
Rot. Bonds6

About 2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol

2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol (PubChem CID 109380074) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol
PubChem CID109380074
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol
SMILESCC(C)C(O)C(C)(C)CNCc1cccc(Br)c1O
InChIInChI=1S/C15H24BrNO2/c1-10(2)14(19)15(3,4)9-17-8-11-6-5-7-12(16)13(11)18/h5-7,10,14,17-19H,8-9H2,1-4H3
InChIKeyDGMFEDZVZDHNOW-UHFFFAOYSA-N
XLogP3.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(3-methylbutylamino)methyl]phenol
CID 61390268
2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol
CID 102673408
2-bromo-6-[(2-methoxypropylamino)methyl]phenol
CID 102696044
2-bromo-6-[(2-ethylbutylamino)methyl]phenol
CID 115616914
2-bromo-6-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]phenol
CID 79254797
1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol
CID 115763817
2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
CID 61390242
1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388620
2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol
CID 61390496
1-[(2-bromophenyl)methylamino]-2-methylpropan-2-ol
CID 61401916
2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol
CID 61389966
2-bromo-6-[(3-methoxypropylamino)methyl]phenol
CID 61390597

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol (CID 109380074) is 2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol is CC(C)C(O)C(C)(C)CNCc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol?
The InChIKey is DGMFEDZVZDHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-10(2)14(19)15(3,4)9-17-8-11-6-5-7-12(16)13(11)18/h5-7,10,14,17-19H,8-9H2,1-4H3.
What are the key properties of 2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol?
2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol has a molecular weight of 330.27 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol is sourced from PubChem (CID 109380074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).