2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride

C10H12Br2ClNO — CID 171217183

IUPAC2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride
SMILESCl.N[C@H](c1cc(Br)cc(Br)c1O)C1CC1
InChIInChI=1S/C10H11Br2NO.ClH/c11-6-3-7(9(13)5-1-2-5)10(14)8(12)4-6;/h3-5,9,14H,1-2,13H2;1H/t9-;/m0./s1
InChIKeyIDXVLKWRNQYQHI-FVGYRXGTSA-N
MW357.47 g/mol
LogP3.75
Rot. Bonds2

About 2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride

2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride (PubChem CID 171217183) has the molecular formula C10H12Br2ClNO and a molecular weight of 357.47 g/mol. Its IUPAC name is 2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride.

Molecular Properties

Compound Name2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride
PubChem CID171217183
Molecular FormulaC10H12Br2ClNO
Molecular Weight357.47 g/mol
Exact Mass354.90
IUPAC Name2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride
SMILESCl.N[C@H](c1cc(Br)cc(Br)c1O)C1CC1
InChIInChI=1S/C10H11Br2NO.ClH/c11-6-3-7(9(13)5-1-2-5)10(14)8(12)4-6;/h3-5,9,14H,1-2,13H2;1H/t9-;/m0./s1
InChIKeyIDXVLKWRNQYQHI-FVGYRXGTSA-N
XLogP3.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;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-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol
CID 131534565
2-[(S)-amino(oxan-4-yl)methyl]-4,6-dibromophenol;hydrochloride
CID 171238683
2-[(S)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171253387
2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromoaniline;hydrochloride
CID 171219014
2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
CID 130715689
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-4,6-dibromophenol
CID 171266417
3-[(R)-amino(cyclopropyl)methyl]-5-bromo-4-hydroxybenzonitrile
CID 131382433
3-[(S)-amino(cyclopropyl)methyl]-5-bromo-4-hydroxybenzonitrile
CID 131336404
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4,6-dibromophenol;hydrochloride
CID 171266422
4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride
CID 171200000
2-[(S)-amino(cyclohexyl)methyl]-6-bromo-4-chlorophenol;hydrochloride
CID 171253713
2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171257666

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride?
The IUPAC name of 2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride (CID 171217183) is 2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride.
What is the SMILES notation for 2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride?
The canonical SMILES for 2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride is Cl.N[C@H](c1cc(Br)cc(Br)c1O)C1CC1.
What is the InChIKey of 2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride?
The InChIKey is IDXVLKWRNQYQHI-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H11Br2NO.ClH/c11-6-3-7(9(13)5-1-2-5)10(14)8(12)4-6;/h3-5,9,14H,1-2,13H2;1H/t9-;/m0./s1.
What are the key properties of 2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride?
2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride has a molecular weight of 357.47 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride is sourced from PubChem (CID 171217183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).