3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol

C15H17BrN2O — CID 107733721

IUPAC3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol
SMILESCCN(c1cccc(O)c1)c1cc(Br)ccc1CN
InChIInChI=1S/C15H17BrN2O/c1-2-18(13-4-3-5-14(19)9-13)15-8-12(16)7-6-11(15)10-17/h3-9,19H,2,10,17H2,1H3
InChIKeyZKCFOGRCLXLWDV-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.77
Rot. Bonds4

About 3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol

3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol (PubChem CID 107733721) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol
PubChem CID107733721
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol
SMILESCCN(c1cccc(O)c1)c1cc(Br)ccc1CN
InChIInChI=1S/C15H17BrN2O/c1-2-18(13-4-3-5-14(19)9-13)15-8-12(16)7-6-11(15)10-17/h3-9,19H,2,10,17H2,1H3
InChIKeyZKCFOGRCLXLWDV-UHFFFAOYSA-N
XLogP3.77
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol 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 3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol?
The IUPAC name of 3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol (CID 107733721) is 3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol.
What is the SMILES notation for 3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol?
The canonical SMILES for 3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol is CCN(c1cccc(O)c1)c1cc(Br)ccc1CN.
What is the InChIKey of 3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol?
The InChIKey is ZKCFOGRCLXLWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-18(13-4-3-5-14(19)9-13)15-8-12(16)7-6-11(15)10-17/h3-9,19H,2,10,17H2,1H3.
What are the key properties of 3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol?
3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol has a molecular weight of 321.22 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol is sourced from PubChem (CID 107733721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).