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

C13H19BrClNO — CID 82781421

IUPAC4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol
SMILESCCC(N)C(C)(CCO)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClNO/c1-3-12(16)13(2,6-7-17)10-5-4-9(14)8-11(10)15/h4-5,8,12,17H,3,6-7,16H2,1-2H3
InChIKeyANHYAQDGGLZJRU-UHFFFAOYSA-N
MW320.66 g/mol
LogP3.48
Rot. Bonds5

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

4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol (PubChem CID 82781421) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is 4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol.

Molecular Properties

Compound Name4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol
PubChem CID82781421
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC Name4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol
SMILESCCC(N)C(C)(CCO)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClNO/c1-3-12(16)13(2,6-7-17)10-5-4-9(14)8-11(10)15/h4-5,8,12,17H,3,6-7,16H2,1-2H3
InChIKeyANHYAQDGGLZJRU-UHFFFAOYSA-N
XLogP3.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexanoate
CID 82780945
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
(3S)-3-amino-3-(2-chloro-4-methylphenyl)butan-1-ol
CID 130615118
2-(4-bromo-2-chlorophenyl)nonan-2-amine
CID 82779733
3-(aminomethyl)-2-(4-bromo-2-chlorophenyl)hexan-2-ol
CID 82781129
2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol
CID 83157267
2-(4-bromo-2-chlorophenyl)-2-(ethylamino)propanamide
CID 82773747
2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
CID 82780088
4-[(4-bromo-2-chlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708043
4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol
CID 66091467
ethyl 3-(4-bromo-2-chlorophenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 82780485

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol?
The IUPAC name of 4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol (CID 82781421) is 4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol.
What is the SMILES notation for 4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol?
The canonical SMILES for 4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol is CCC(N)C(C)(CCO)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol?
The InChIKey is ANHYAQDGGLZJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO/c1-3-12(16)13(2,6-7-17)10-5-4-9(14)8-11(10)15/h4-5,8,12,17H,3,6-7,16H2,1-2H3.
What are the key properties of 4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol?
4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol has a molecular weight of 320.66 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol is sourced from PubChem (CID 82781421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).