1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol

C15H24BrNO — CID 82971146

IUPAC1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol
SMILESCC(C)CC(C)N(C)c1cc(Br)ccc1C(C)O
InChIInChI=1S/C15H24BrNO/c1-10(2)8-11(3)17(5)15-9-13(16)6-7-14(15)12(4)18/h6-7,9-12,18H,8H2,1-5H3
InChIKeyPKSRFPDDGAQZJQ-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.37
Rot. Bonds5

About 1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol

1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol (PubChem CID 82971146) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol
PubChem CID82971146
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol
SMILESCC(C)CC(C)N(C)c1cc(Br)ccc1C(C)O
InChIInChI=1S/C15H24BrNO/c1-10(2)8-11(3)17(5)15-9-13(16)6-7-14(15)12(4)18/h6-7,9-12,18H,8H2,1-5H3
InChIKeyPKSRFPDDGAQZJQ-UHFFFAOYSA-N
XLogP4.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 82968358
3-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]butanenitrile
CID 82970578
1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol
CID 82969604
2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide
CID 82969371
1-[4-bromo-2-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 82971014
1-[4-bromo-2-[methyl(2-methylsulfonylethyl)amino]phenyl]ethanol
CID 82971235
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63553054
1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 82969724
3-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]propanenitrile
CID 82970933
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol
CID 82971025
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol (CID 82971146) is 1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol is CC(C)CC(C)N(C)c1cc(Br)ccc1C(C)O.
What is the InChIKey of 1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol?
The InChIKey is PKSRFPDDGAQZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-10(2)8-11(3)17(5)15-9-13(16)6-7-14(15)12(4)18/h6-7,9-12,18H,8H2,1-5H3.
What are the key properties of 1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol?
1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol has a molecular weight of 314.27 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 82971146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).