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

C15H22BrNO2 — CID 103271351

IUPAC4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol
SMILESCCC(NCC1CCC(O)C1)c1cc(Br)ccc1O
InChIInChI=1S/C15H22BrNO2/c1-2-14(13-8-11(16)4-6-15(13)19)17-9-10-3-5-12(18)7-10/h4,6,8,10,12,14,17-19H,2-3,5,7,9H2,1H3
InChIKeySJURUNQPXFXZEC-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.36
Rot. Bonds5

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

4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol (PubChem CID 103271351) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol
PubChem CID103271351
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol
SMILESCCC(NCC1CCC(O)C1)c1cc(Br)ccc1O
InChIInChI=1S/C15H22BrNO2/c1-2-14(13-8-11(16)4-6-15(13)19)17-9-10-3-5-12(18)7-10/h4,6,8,10,12,14,17-19H,2-3,5,7,9H2,1H3
InChIKeySJURUNQPXFXZEC-UHFFFAOYSA-N
XLogP3.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[1-[(3-hydroxycyclopentyl)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-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60855843
3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785944
4-bromo-2-[1-(3-methylbut-2-enylamino)propyl]phenol
CID 103522639
4-bromo-2-[1-[(3-methylcyclobutyl)amino]propyl]phenol
CID 113467135
4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol
CID 130067502
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol
CID 103271372
4-bromo-2-[1-[(3,3-difluoro-2-hydroxypropyl)amino]propyl]phenol
CID 104924965
4-bromo-2-[1-(2,2,2-trifluoroethylamino)propyl]phenol
CID 24705211
4-bromo-2-[1-(cyclobutylmethylamino)ethyl]phenol
CID 104581979
4-bromo-2-[1-(2-methoxyethylamino)propyl]phenol
CID 43190151
4-bromo-2-[1-[[(1S)-1-cyclopentylethyl]amino]propyl]phenol
CID 81386831
4-bromo-2-[1-(2,2-diethoxyethylamino)propyl]phenol
CID 79547688

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol?
The IUPAC name of 4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol (CID 103271351) is 4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol?
The canonical SMILES for 4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol is CCC(NCC1CCC(O)C1)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol?
The InChIKey is SJURUNQPXFXZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-2-14(13-8-11(16)4-6-15(13)19)17-9-10-3-5-12(18)7-10/h4,6,8,10,12,14,17-19H,2-3,5,7,9H2,1H3.
What are the key properties of 4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol?
4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol has a molecular weight of 328.25 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol is sourced from PubChem (CID 103271351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).