1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol

C14H16BrN3O — CID 106876269

IUPAC1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol
SMILESCc1ccnc(NCC(O)c2ccc(N)cc2)c1Br
InChIInChI=1S/C14H16BrN3O/c1-9-6-7-17-14(13(9)15)18-8-12(19)10-2-4-11(16)5-3-10/h2-7,12,19H,8,16H2,1H3,(H,17,18)
InChIKeyVRURSBNNGZBIBW-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol

1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol (PubChem CID 106876269) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol
PubChem CID106876269
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol
SMILESCc1ccnc(NCC(O)c2ccc(N)cc2)c1Br
InChIInChI=1S/C14H16BrN3O/c1-9-6-7-17-14(13(9)15)18-8-12(19)10-2-4-11(16)5-3-10/h2-7,12,19H,8,16H2,1H3,(H,17,18)
InChIKeyVRURSBNNGZBIBW-UHFFFAOYSA-N
XLogP2.88
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol (CID 106876269) is 1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol is Cc1ccnc(NCC(O)c2ccc(N)cc2)c1Br.
What is the InChIKey of 1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol?
The InChIKey is VRURSBNNGZBIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9-6-7-17-14(13(9)15)18-8-12(19)10-2-4-11(16)5-3-10/h2-7,12,19H,8,16H2,1H3,(H,17,18).
What are the key properties of 1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol?
1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol has a molecular weight of 322.21 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 106876269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).