2-(2-bromoanilino)-2-ethylbutan-1-ol

C12H18BrNO — CID 61050046

IUPAC2-(2-bromoanilino)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-3-12(4-2,9-15)14-11-8-6-5-7-10(11)13/h5-8,14-15H,3-4,9H2,1-2H3
InChIKeyAIWRGHHIMGJOFX-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.41
Rot. Bonds5

About 2-(2-bromoanilino)-2-ethylbutan-1-ol

2-(2-bromoanilino)-2-ethylbutan-1-ol (PubChem CID 61050046) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-ethylbutan-1-ol
PubChem CID61050046
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(2-bromoanilino)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-3-12(4-2,9-15)14-11-8-6-5-7-10(11)13/h5-8,14-15H,3-4,9H2,1-2H3
InChIKeyAIWRGHHIMGJOFX-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-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide
CID 62518350
2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535
2-(2-bromoanilino)-2-methylbutanamide
CID 61006238
2-anilino-2-ethylbutan-1-ol
CID 61046791
2-(2-bromoanilino)-2-(4-fluorophenyl)butan-1-ol
CID 61050041
3-(2-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414093
5-bromo-2-[3-(hydroxymethyl)pentan-3-ylamino]benzonitrile
CID 114893703
2-ethyl-2-[(6-methyl-2-pyridinyl)amino]butan-1-ol
CID 62517992
2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol
CID 62518168
2-ethyl-2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 112697194
2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol
CID 61050433

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-ethylbutan-1-ol?
The IUPAC name of 2-(2-bromoanilino)-2-ethylbutan-1-ol (CID 61050046) is 2-(2-bromoanilino)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(2-bromoanilino)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(2-bromoanilino)-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)-2-ethylbutan-1-ol?
The InChIKey is AIWRGHHIMGJOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-12(4-2,9-15)14-11-8-6-5-7-10(11)13/h5-8,14-15H,3-4,9H2,1-2H3.
What are the key properties of 2-(2-bromoanilino)-2-ethylbutan-1-ol?
2-(2-bromoanilino)-2-ethylbutan-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-(2-bromoanilino)-2-ethylbutan-1-ol is sourced from PubChem (CID 61050046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).