2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride

C12H19BrClNO — CID 171204721

IUPAC2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccc(Br)cc1O.Cl
InChIInChI=1S/C12H18BrNO.ClH/c1-8(2)3-6-11(14)10-5-4-9(13)7-12(10)15;/h4-5,7-8,11,15H,3,6,14H2,1-2H3;1H/t11-;/m1./s1
InChIKeyZLHVSKQULOQDKT-RFVHGSKJSA-N
MW308.65 g/mol
LogP4.01
Rot. Bonds4

About 2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride

2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride (PubChem CID 171204721) has the molecular formula C12H19BrClNO and a molecular weight of 308.65 g/mol. Its IUPAC name is 2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride
PubChem CID171204721
Molecular FormulaC12H19BrClNO
Molecular Weight308.65 g/mol
Exact Mass307.03
IUPAC Name2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccc(Br)cc1O.Cl
InChIInChI=1S/C12H18BrNO.ClH/c1-8(2)3-6-11(14)10-5-4-9(13)7-12(10)15;/h4-5,7-8,11,15H,3,6,14H2,1-2H3;1H/t11-;/m1./s1
InChIKeyZLHVSKQULOQDKT-RFVHGSKJSA-N
XLogP4.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.65
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride 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-[(1S)-1-aminohexyl]-5-bromophenol;hydrochloride
CID 171224277
4-[(1R)-1-amino-4-methylpentyl]benzene-1,3-diol
CID 171200136
2-[(1S)-1-amino-4-hydroxybutyl]-5-bromophenol
CID 171224302
2-[(1R)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171200975
2-[(1S)-1-amino-3-methylbut-3-enyl]-5-bromophenol;hydrochloride
CID 171224293
5-bromo-2-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130863037
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine
CID 105028683
5-bromo-2-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310144
2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride
CID 171198651
2-[(1S,2R)-1-amino-2-hydroxyhexyl]-5-bromophenol;hydrochloride
CID 171268073

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride (CID 171204721) is 2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride is CC(C)CC[C@@H](N)c1ccc(Br)cc1O.Cl.
What is the InChIKey of 2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride?
The InChIKey is ZLHVSKQULOQDKT-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H18BrNO.ClH/c1-8(2)3-6-11(14)10-5-4-9(13)7-12(10)15;/h4-5,7-8,11,15H,3,6,14H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride?
2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride has a molecular weight of 308.65 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride is sourced from PubChem (CID 171204721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).