3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol

C10H13BrClNO — CID 81308238

IUPAC3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H13BrClNO/c1-6(5-13)10(14)7-2-3-8(11)9(12)4-7/h2-4,6,10,14H,5,13H2,1H3
InChIKeyDUPBSQQXDWRGTP-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.73
Rot. Bonds3

About 3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol

3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol (PubChem CID 81308238) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol
PubChem CID81308238
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H13BrClNO/c1-6(5-13)10(14)7-2-3-8(11)9(12)4-7/h2-4,6,10,14H,5,13H2,1H3
InChIKeyDUPBSQQXDWRGTP-UHFFFAOYSA-N
XLogP2.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol 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

3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 81308542
3-amino-1-(4-bromo-3-chlorophenyl)-2-phenylpropan-1-ol
CID 81307524
1-(4-bromo-3-chlorophenyl)-3-chloropropane-1,2-diol
CID 171863117
(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine
CID 130673316
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
CID 130699468
methyl 4-(3-bromo-4-chlorophenyl)-4-hydroxy-3-methylbutanoate
CID 83230986
ethyl 2-(4-bromo-3-chlorophenyl)propanoate
CID 105426704
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
1-(4-bromo-3-chlorophenyl)-3-methylbut-3-en-1-ol
CID 115816867
(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130690836

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol (CID 81308238) is 3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol is CC(CN)C(O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol?
The InChIKey is DUPBSQQXDWRGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-6(5-13)10(14)7-2-3-8(11)9(12)4-7/h2-4,6,10,14H,5,13H2,1H3.
What are the key properties of 3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol?
3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol has a molecular weight of 278.58 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 81308238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).