2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol

C13H19BrClNO — CID 81418881

IUPAC2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(Cl)ccc1Br
InChIInChI=1S/C13H19BrClNO/c1-3-13(4-2,9-17)8-16-12-7-10(15)5-6-11(12)14/h5-7,16-17H,3-4,8-9H2,1-2H3
InChIKeyWHOIVMYHBFJENW-UHFFFAOYSA-N
MW320.66 g/mol
LogP4.31
Rot. Bonds6

About 2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol

2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol (PubChem CID 81418881) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is 2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol
PubChem CID81418881
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC Name2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(Cl)ccc1Br
InChIInChI=1S/C13H19BrClNO/c1-3-13(4-2,9-17)8-16-12-7-10(15)5-6-11(12)14/h5-7,16-17H,3-4,8-9H2,1-2H3
InChIKeyWHOIVMYHBFJENW-UHFFFAOYSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol
CID 81412513
2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81410986
2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 103412147
methyl 3-(2-bromo-5-chloroanilino)-2-hydroxy-2-methylpropanoate
CID 104644795
2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106251907
3-[(2-bromo-4-chloroanilino)methyl]pentan-3-ol
CID 114493426
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356
1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439
2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
CID 81411598
2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide
CID 81281028
2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol
CID 81411803

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol (CID 81418881) is 2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1cc(Cl)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol?
The InChIKey is WHOIVMYHBFJENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO/c1-3-13(4-2,9-17)8-16-12-7-10(15)5-6-11(12)14/h5-7,16-17H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol?
2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol has a molecular weight of 320.66 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81418881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).