1-(2,5-dibromoanilino)butan-2-ol

C10H13Br2NO — CID 61467144

IUPAC1-(2,5-dibromoanilino)butan-2-ol
SMILESCCC(O)CNc1cc(Br)ccc1Br
InChIInChI=1S/C10H13Br2NO/c1-2-8(14)6-13-10-5-7(11)3-4-9(10)12/h3-5,8,13-14H,2,6H2,1H3
InChIKeyLSHMTLNBFRUGRP-UHFFFAOYSA-N
MW323.03 g/mol
LogP3.39
Rot. Bonds4

About 1-(2,5-dibromoanilino)butan-2-ol

1-(2,5-dibromoanilino)butan-2-ol (PubChem CID 61467144) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is 1-(2,5-dibromoanilino)butan-2-ol.

Molecular Properties

Compound Name1-(2,5-dibromoanilino)butan-2-ol
PubChem CID61467144
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name1-(2,5-dibromoanilino)butan-2-ol
SMILESCCC(O)CNc1cc(Br)ccc1Br
InChIInChI=1S/C10H13Br2NO/c1-2-8(14)6-13-10-5-7(11)3-4-9(10)12/h3-5,8,13-14H,2,6H2,1H3
InChIKeyLSHMTLNBFRUGRP-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dibromoanilino)propane-1,2-diol
CID 76904670
1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 61467302
2,5-dibromo-N-(2,2-difluoroethyl)aniline
CID 61467186
1-(2-bromo-4-methylanilino)butan-2-ol
CID 60886416
1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol
CID 103157464
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
3-(2,5-dibromoanilino)-2-methylpropanenitrile
CID 61466960
1-[5-bromo-2-(trifluoromethyl)anilino]pentan-2-ol
CID 107286594
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 107635766
(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
3-(5-bromo-2-ethoxyanilino)propane-1,2-diol
CID 168596387

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromoanilino)butan-2-ol?
The IUPAC name of 1-(2,5-dibromoanilino)butan-2-ol (CID 61467144) is 1-(2,5-dibromoanilino)butan-2-ol.
What is the SMILES notation for 1-(2,5-dibromoanilino)butan-2-ol?
The canonical SMILES for 1-(2,5-dibromoanilino)butan-2-ol is CCC(O)CNc1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromoanilino)butan-2-ol?
The InChIKey is LSHMTLNBFRUGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO/c1-2-8(14)6-13-10-5-7(11)3-4-9(10)12/h3-5,8,13-14H,2,6H2,1H3.
What are the key properties of 1-(2,5-dibromoanilino)butan-2-ol?
1-(2,5-dibromoanilino)butan-2-ol has a molecular weight of 323.03 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromoanilino)butan-2-ol is sourced from PubChem (CID 61467144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).