4-[2-[(4-bromophenyl)methylamino]ethyl]phenol

C15H16BrNO — CID 61236714

IUPAC4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
SMILESOc1ccc(CCNCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO/c16-14-5-1-13(2-6-14)11-17-10-9-12-3-7-15(18)8-4-12/h1-8,17-18H,9-11H2
InChIKeyQAUFZMTYPYOVSV-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.49
Rot. Bonds5

About 4-[2-[(4-bromophenyl)methylamino]ethyl]phenol

4-[2-[(4-bromophenyl)methylamino]ethyl]phenol (PubChem CID 61236714) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-[2-[(4-bromophenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
PubChem CID61236714
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
SMILESOc1ccc(CCNCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO/c16-14-5-1-13(2-6-14)11-17-10-9-12-3-7-15(18)8-4-12/h1-8,17-18H,9-11H2
InChIKeyQAUFZMTYPYOVSV-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-[(4-bromophenyl)methylamino]ethyl]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

2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 55146378
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 68882931
4-[2-[(5-bromothiophen-3-yl)methylamino]ethyl]phenol
CID 61238208
4-[2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,2-diol;hydrochloride
CID 6366773
2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
CID 2950588
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61392226
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol
CID 61237649
4-[(4-bromobutylamino)methyl]phenol
CID 106844801
2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294481

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-bromophenyl)methylamino]ethyl]phenol?
The IUPAC name of 4-[2-[(4-bromophenyl)methylamino]ethyl]phenol (CID 61236714) is 4-[2-[(4-bromophenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(4-bromophenyl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[(4-bromophenyl)methylamino]ethyl]phenol is Oc1ccc(CCNCc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[2-[(4-bromophenyl)methylamino]ethyl]phenol?
The InChIKey is QAUFZMTYPYOVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-14-5-1-13(2-6-14)11-17-10-9-12-3-7-15(18)8-4-12/h1-8,17-18H,9-11H2.
What are the key properties of 4-[2-[(4-bromophenyl)methylamino]ethyl]phenol?
4-[2-[(4-bromophenyl)methylamino]ethyl]phenol has a molecular weight of 306.20 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-bromophenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 61236714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).