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

C12H18BrNO — CID 61047859

IUPAC2-(3-bromoanilino)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-3-7-12(2,9-15)14-11-6-4-5-10(13)8-11/h4-6,8,14-15H,3,7,9H2,1-2H3
InChIKeyZJOMOZOIHPSVAO-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.41
Rot. Bonds5

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

2-(3-bromoanilino)-2-methylpentan-1-ol (PubChem CID 61047859) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-methylpentan-1-ol
PubChem CID61047859
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(3-bromoanilino)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-3-7-12(2,9-15)14-11-6-4-5-10(13)8-11/h4-6,8,14-15H,3,7,9H2,1-2H3
InChIKeyZJOMOZOIHPSVAO-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-methylnonan-1-ol
CID 55198657
2-(3-bromoanilino)-2-methylpropan-1-ol
CID 61048662
2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
CID 130509135
2-(4-chloroanilino)-2-methylpentan-1-ol
CID 61047723
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
CID 61048061
3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]benzoic acid
CID 102823266
2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
CID 61047781
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048068
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide
CID 106175410

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-methylpentan-1-ol?
The IUPAC name of 2-(3-bromoanilino)-2-methylpentan-1-ol (CID 61047859) is 2-(3-bromoanilino)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(3-bromoanilino)-2-methylpentan-1-ol?
The canonical SMILES for 2-(3-bromoanilino)-2-methylpentan-1-ol is CCCC(C)(CO)Nc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-2-methylpentan-1-ol?
The InChIKey is ZJOMOZOIHPSVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-7-12(2,9-15)14-11-6-4-5-10(13)8-11/h4-6,8,14-15H,3,7,9H2,1-2H3.
What are the key properties of 2-(3-bromoanilino)-2-methylpentan-1-ol?
2-(3-bromoanilino)-2-methylpentan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-methylpentan-1-ol is sourced from PubChem (CID 61047859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).