2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol

C15H17BrN2O2 — CID 63047282

IUPAC2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
SMILESCC(C)Oc1ncccc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-10(2)20-15-13(4-3-7-17-15)18-9-11-5-6-14(19)12(16)8-11/h3-8,10,18-19H,9H2,1-2H3
InChIKeySTJFWMJLRLWGHC-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.95
Rot. Bonds5

About 2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol

2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol (PubChem CID 63047282) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
PubChem CID63047282
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
SMILESCC(C)Oc1ncccc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-10(2)20-15-13(4-3-7-17-15)18-9-11-5-6-14(19)12(16)8-11/h3-8,10,18-19H,9H2,1-2H3
InChIKeySTJFWMJLRLWGHC-UHFFFAOYSA-N
XLogP3.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol 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

N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 102910401
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576
2-bromo-4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63045195
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-(1,2-oxazol-4-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379672
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375775
2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 63047244
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43784042
2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
CID 61375585
4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol
CID 103823701
2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol
CID 79359765

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol (CID 63047282) is 2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol is CC(C)Oc1ncccc1NCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol?
The InChIKey is STJFWMJLRLWGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(2)20-15-13(4-3-7-17-15)18-9-11-5-6-14(19)12(16)8-11/h3-8,10,18-19H,9H2,1-2H3.
What are the key properties of 2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol?
2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol has a molecular weight of 337.22 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 63047282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).