2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol

C15H23BrClNO2 — CID 81412513

IUPAC2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol
SMILESCCOc1c(Br)cc(Cl)cc1NCC(CC)(CC)CO
InChIInChI=1S/C15H23BrClNO2/c1-4-15(5-2,10-19)9-18-13-8-11(17)7-12(16)14(13)20-6-3/h7-8,18-19H,4-6,9-10H2,1-3H3
InChIKeyVBKSDWKQDLNOQA-UHFFFAOYSA-N
MW364.71 g/mol
LogP4.71
Rot. Bonds8

About 2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol

2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol (PubChem CID 81412513) has the molecular formula C15H23BrClNO2 and a molecular weight of 364.71 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol
PubChem CID81412513
Molecular FormulaC15H23BrClNO2
Molecular Weight364.71 g/mol
Exact Mass363.06
IUPAC Name2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol
SMILESCCOc1c(Br)cc(Cl)cc1NCC(CC)(CC)CO
InChIInChI=1S/C15H23BrClNO2/c1-4-15(5-2,10-19)9-18-13-8-11(17)7-12(16)14(13)20-6-3/h7-8,18-19H,4-6,9-10H2,1-3H3
InChIKeyVBKSDWKQDLNOQA-UHFFFAOYSA-N
XLogP4.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.71
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81418881
3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
CID 43690788
N-benzyl-3-bromo-5-chloro-2-ethoxyaniline
CID 43690745
3-bromo-5-chloro-N-[(3,5-difluorophenyl)methyl]-2-ethoxyaniline
CID 106528343
3-[3-bromo-5-chloro-2-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81411115
3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline
CID 43690723
3-bromo-5-chloro-2-ethoxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 75512729
2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 103412147
3-bromo-5-chloro-2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 103818230
2-[(3-bromo-5-chloro-2-ethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169338504
3-bromo-5-chloro-2-ethoxy-N-(3-phenylpropyl)aniline
CID 43690682
3-bromo-5-chloro-2-ethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169650

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol (CID 81412513) is 2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol is CCOc1c(Br)cc(Cl)cc1NCC(CC)(CC)CO.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol?
The InChIKey is VBKSDWKQDLNOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClNO2/c1-4-15(5-2,10-19)9-18-13-8-11(17)7-12(16)14(13)20-6-3/h7-8,18-19H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol?
2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol has a molecular weight of 364.71 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81412513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).