2-(3-bromoanilino)-2-methyloctan-1-ol

C15H24BrNO — CID 55198656

IUPAC2-(3-bromoanilino)-2-methyloctan-1-ol
SMILESCCCCCCC(C)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-3-4-5-6-10-15(2,12-18)17-14-9-7-8-13(16)11-14/h7-9,11,17-18H,3-6,10,12H2,1-2H3
InChIKeyOYIHRNITEGLZMC-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.58
Rot. Bonds8

About 2-(3-bromoanilino)-2-methyloctan-1-ol

2-(3-bromoanilino)-2-methyloctan-1-ol (PubChem CID 55198656) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-methyloctan-1-ol.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-methyloctan-1-ol
PubChem CID55198656
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-(3-bromoanilino)-2-methyloctan-1-ol
SMILESCCCCCCC(C)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-3-4-5-6-10-15(2,12-18)17-14-9-7-8-13(16)11-14/h7-9,11,17-18H,3-6,10,12H2,1-2H3
InChIKeyOYIHRNITEGLZMC-UHFFFAOYSA-N
XLogP4.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-methyloctan-1-ol?
The IUPAC name of 2-(3-bromoanilino)-2-methyloctan-1-ol (CID 55198656) is 2-(3-bromoanilino)-2-methyloctan-1-ol.
What is the SMILES notation for 2-(3-bromoanilino)-2-methyloctan-1-ol?
The canonical SMILES for 2-(3-bromoanilino)-2-methyloctan-1-ol is CCCCCCC(C)(CO)Nc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-2-methyloctan-1-ol?
The InChIKey is OYIHRNITEGLZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-3-4-5-6-10-15(2,12-18)17-14-9-7-8-13(16)11-14/h7-9,11,17-18H,3-6,10,12H2,1-2H3.
What are the key properties of 2-(3-bromoanilino)-2-methyloctan-1-ol?
2-(3-bromoanilino)-2-methyloctan-1-ol has a molecular weight of 314.27 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-methyloctan-1-ol is sourced from PubChem (CID 55198656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).