4-bromo-2-[1-(2-ethylanilino)propyl]phenol

C17H20BrNO — CID 43095268

IUPAC4-bromo-2-[1-(2-ethylanilino)propyl]phenol
SMILESCCc1ccccc1NC(CC)c1cc(Br)ccc1O
InChIInChI=1S/C17H20BrNO/c1-3-12-7-5-6-8-16(12)19-15(4-2)14-11-13(18)9-10-17(14)20/h5-11,15,19-20H,3-4H2,1-2H3
InChIKeyNGHWHTRYDKJCOK-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.28
Rot. Bonds5

About 4-bromo-2-[1-(2-ethylanilino)propyl]phenol

4-bromo-2-[1-(2-ethylanilino)propyl]phenol (PubChem CID 43095268) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-bromo-2-[1-(2-ethylanilino)propyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-(2-ethylanilino)propyl]phenol
PubChem CID43095268
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name4-bromo-2-[1-(2-ethylanilino)propyl]phenol
SMILESCCc1ccccc1NC(CC)c1cc(Br)ccc1O
InChIInChI=1S/C17H20BrNO/c1-3-12-7-5-6-8-16(12)19-15(4-2)14-11-13(18)9-10-17(14)20/h5-11,15,19-20H,3-4H2,1-2H3
InChIKeyNGHWHTRYDKJCOK-UHFFFAOYSA-N
XLogP5.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[1-(2-ethylanilino)propyl]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

4-bromo-2-[1-[2-(methoxymethyl)anilino]propyl]phenol
CID 43678012
4-bromo-2-[1-(2-ethyl-6-methylanilino)propyl]phenol
CID 63448408
4-bromo-2-[1-(5-bromo-2-fluoroanilino)propyl]phenol
CID 43555358
N-[1-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541
4-bromo-2-[1-(2,4-difluoroanilino)propyl]phenol
CID 43110575
4-bromo-2-[1-(3-ethylanilino)propyl]phenol
CID 43105601
4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol
CID 130067502
2-[1-(4-bromo-2-fluoroanilino)propyl]phenol
CID 43192631
4-bromo-2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122763
4-bromo-2-[1-(2,5-difluoro-4-methylanilino)propyl]phenol
CID 103584719
4-bromo-2-[1-(4-fluoroanilino)propyl]phenol
CID 43194665
4-bromo-2-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 63425315

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(2-ethylanilino)propyl]phenol?
The IUPAC name of 4-bromo-2-[1-(2-ethylanilino)propyl]phenol (CID 43095268) is 4-bromo-2-[1-(2-ethylanilino)propyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-(2-ethylanilino)propyl]phenol?
The canonical SMILES for 4-bromo-2-[1-(2-ethylanilino)propyl]phenol is CCc1ccccc1NC(CC)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[1-(2-ethylanilino)propyl]phenol?
The InChIKey is NGHWHTRYDKJCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-12-7-5-6-8-16(12)19-15(4-2)14-11-13(18)9-10-17(14)20/h5-11,15,19-20H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-[1-(2-ethylanilino)propyl]phenol?
4-bromo-2-[1-(2-ethylanilino)propyl]phenol has a molecular weight of 334.26 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-(2-ethylanilino)propyl]phenol is sourced from PubChem (CID 43095268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).