4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol

C14H15BrN2O — CID 103773788

IUPAC4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol
SMILESOc1ccc(Br)cc1CNCCc1ccncc1
InChIInChI=1S/C14H15BrN2O/c15-13-1-2-14(18)12(9-13)10-17-8-5-11-3-6-16-7-4-11/h1-4,6-7,9,17-18H,5,8,10H2
InChIKeyJSQNHNOOYCNRRH-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.88
Rot. Bonds5

About 4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol

4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol (PubChem CID 103773788) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol
PubChem CID103773788
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol
SMILESOc1ccc(Br)cc1CNCCc1ccncc1
InChIInChI=1S/C14H15BrN2O/c15-13-1-2-14(18)12(9-13)10-17-8-5-11-3-6-16-7-4-11/h1-4,6-7,9,17-18H,5,8,10H2
InChIKeyJSQNHNOOYCNRRH-UHFFFAOYSA-N
XLogP2.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 113434581
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 60902552
4-bromo-2-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588373
N-[(2-bromo-4-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 115556824
4-bromo-2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 113229731
4-bromo-2-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639531
4-bromo-2-[(prop-2-enylamino)methyl]phenol
CID 50999586
N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944073
4-bromo-2-[(but-2-ynylamino)methyl]phenol
CID 115866209
methyl 4-[(5-bromo-2-hydroxyphenyl)methylamino]butanoate
CID 107737813
4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
CID 104646490
2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
CID 54943974

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol?
The IUPAC name of 4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol (CID 103773788) is 4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol is Oc1ccc(Br)cc1CNCCc1ccncc1.
What is the InChIKey of 4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol?
The InChIKey is JSQNHNOOYCNRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-13-1-2-14(18)12(9-13)10-17-8-5-11-3-6-16-7-4-11/h1-4,6-7,9,17-18H,5,8,10H2.
What are the key properties of 4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol?
4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol has a molecular weight of 307.19 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol is sourced from PubChem (CID 103773788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).