1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol

C13H20BrNO — CID 65187712

IUPAC1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
SMILESCCC(C)C(O)C(CN)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-3-9(2)13(16)12(8-15)10-5-4-6-11(14)7-10/h4-7,9,12-13,16H,3,8,15H2,1-2H3
InChIKeyVOUYTDHWCNABNA-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.90
Rot. Bonds5

About 1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol

1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol (PubChem CID 65187712) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
PubChem CID65187712
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
SMILESCCC(C)C(O)C(CN)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-3-9(2)13(16)12(8-15)10-5-4-6-11(14)7-10/h4-7,9,12-13,16H,3,8,15H2,1-2H3
InChIKeyVOUYTDHWCNABNA-UHFFFAOYSA-N
XLogP2.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol
CID 65188289
3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65187659
3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65187919
2-(3-bromophenyl)pentan-3-ol
CID 79298699
(3-bromophenyl)-ethoxymethanol
CID 142187361
1-amino-2-(4-bromophenyl)-4-methylheptan-3-ol
CID 65186020
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CID 70811233
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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol?
The IUPAC name of 1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol (CID 65187712) is 1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol.
What is the SMILES notation for 1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol?
The canonical SMILES for 1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol is CCC(C)C(O)C(CN)c1cccc(Br)c1.
What is the InChIKey of 1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol?
The InChIKey is VOUYTDHWCNABNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-9(2)13(16)12(8-15)10-5-4-6-11(14)7-10/h4-7,9,12-13,16H,3,8,15H2,1-2H3.
What are the key properties of 1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol?
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol has a molecular weight of 286.21 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol is sourced from PubChem (CID 65187712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).