4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol

C16H25BrN2O — CID 60855843

IUPAC4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
SMILESCCC(NCC1CCN(CC)C1)c1cc(Br)ccc1O
InChIInChI=1S/C16H25BrN2O/c1-3-15(14-9-13(17)5-6-16(14)20)18-10-12-7-8-19(4-2)11-12/h5-6,9,12,15,18,20H,3-4,7-8,10-11H2,1-2H3
InChIKeyRHZLUOHKCQRDTP-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.54
Rot. Bonds6

About 4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol

4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol (PubChem CID 60855843) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
PubChem CID60855843
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
SMILESCCC(NCC1CCN(CC)C1)c1cc(Br)ccc1O
InChIInChI=1S/C16H25BrN2O/c1-3-15(14-9-13(17)5-6-16(14)20)18-10-12-7-8-19(4-2)11-12/h5-6,9,12,15,18,20H,3-4,7-8,10-11H2,1-2H3
InChIKeyRHZLUOHKCQRDTP-UHFFFAOYSA-N
XLogP3.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]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-[(3-hydroxycyclopentyl)methylamino]propyl]phenol
CID 103271351
1-(4-bromo-2-fluorophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 82964845
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 60855495
2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60856155
4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol
CID 130067502
4-bromo-2-[1-(2,2,2-trifluoroethylamino)propyl]phenol
CID 24705211
4-bromo-2-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]phenol
CID 104925227
4-bromo-2-[1-(3-methylbut-2-enylamino)propyl]phenol
CID 103522639
4-bromo-2-[1-(2-methoxyethylamino)propyl]phenol
CID 43190151
4-bromo-2-[1-(cyclobutylmethylamino)ethyl]phenol
CID 104581979
4-bromo-2-[1-[(3-methylcyclobutyl)amino]propyl]phenol
CID 113467135

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol?
The IUPAC name of 4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol (CID 60855843) is 4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol?
The canonical SMILES for 4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol is CCC(NCC1CCN(CC)C1)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol?
The InChIKey is RHZLUOHKCQRDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-15(14-9-13(17)5-6-16(14)20)18-10-12-7-8-19(4-2)11-12/h5-6,9,12,15,18,20H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol?
4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol has a molecular weight of 341.29 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol is sourced from PubChem (CID 60855843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).