2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol

C14H21Br2NO2 — CID 103412147

IUPAC2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C14H21Br2NO2/c1-4-14(5-2,9-18)8-17-12-7-13(19-3)11(16)6-10(12)15/h6-7,17-18H,4-5,8-9H2,1-3H3
InChIKeyXEGZZEPXVAYNPI-UHFFFAOYSA-N
MW395.14 g/mol
LogP4.43
Rot. Bonds7

About 2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol

2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol (PubChem CID 103412147) has the molecular formula C14H21Br2NO2 and a molecular weight of 395.14 g/mol. Its IUPAC name is 2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
PubChem CID103412147
Molecular FormulaC14H21Br2NO2
Molecular Weight395.14 g/mol
Exact Mass392.99
IUPAC Name2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C14H21Br2NO2/c1-4-14(5-2,9-18)8-17-12-7-13(19-3)11(16)6-10(12)15/h6-7,17-18H,4-5,8-9H2,1-3H3
InChIKeyXEGZZEPXVAYNPI-UHFFFAOYSA-N
XLogP4.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.14
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251260
2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81418881
2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251525
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3-methoxybenzonitrile
CID 104848351
2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline
CID 103413053
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide
CID 81412848
2,4-dibromo-N-hexyl-5-methoxyaniline
CID 103411588
N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
CID 103412671
2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]-2-methylbutanoic acid
CID 103416271
N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide
CID 81399723
N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine
CID 103411364

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol (CID 103412147) is 2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1cc(OC)c(Br)cc1Br.
What is the InChIKey of 2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol?
The InChIKey is XEGZZEPXVAYNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2NO2/c1-4-14(5-2,9-18)8-17-12-7-13(19-3)11(16)6-10(12)15/h6-7,17-18H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol?
2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol has a molecular weight of 395.14 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 103412147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).