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

C14H15BrN2O2 — CID 103823701

IUPAC4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol
SMILESCCOc1ncccc1NCc1cc(Br)ccc1O
InChIInChI=1S/C14H15BrN2O2/c1-2-19-14-12(4-3-7-16-14)17-9-10-8-11(15)5-6-13(10)18/h3-8,17-18H,2,9H2,1H3
InChIKeyPGNQGGBKDJEOSR-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.56
Rot. Bonds5

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

4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol (PubChem CID 103823701) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol
PubChem CID103823701
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol
SMILESCCOc1ncccc1NCc1cc(Br)ccc1O
InChIInChI=1S/C14H15BrN2O2/c1-2-19-14-12(4-3-7-16-14)17-9-10-8-11(15)5-6-13(10)18/h3-8,17-18H,2,9H2,1H3
InChIKeyPGNQGGBKDJEOSR-UHFFFAOYSA-N
XLogP3.56
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706525
2-ethoxy-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 43706219
N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706260
4-bromo-2-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 107737848
2-ethoxy-N-(naphthalen-1-ylmethyl)pyridin-3-amine
CID 43706191
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide
CID 114371185
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
4-bromo-2-[(3-chloro-2-methylanilino)methyl]phenol
CID 107737625
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
2-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol (CID 103823701) is 4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol is CCOc1ncccc1NCc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol?
The InChIKey is PGNQGGBKDJEOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-19-14-12(4-3-7-16-14)17-9-10-8-11(15)5-6-13(10)18/h3-8,17-18H,2,9H2,1H3.
What are the key properties of 4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol?
4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol has a molecular weight of 323.19 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 103823701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).