1-(2-bromo-4-methylanilino)butan-2-ol

C11H16BrNO — CID 60886416

IUPAC1-(2-bromo-4-methylanilino)butan-2-ol
SMILESCCC(O)CNc1ccc(C)cc1Br
InChIInChI=1S/C11H16BrNO/c1-3-9(14)7-13-11-5-4-8(2)6-10(11)12/h4-6,9,13-14H,3,7H2,1-2H3
InChIKeyDRKSALMUJNQNBC-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-bromo-4-methylanilino)butan-2-ol

1-(2-bromo-4-methylanilino)butan-2-ol (PubChem CID 60886416) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(2-bromo-4-methylanilino)butan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-methylanilino)butan-2-ol
PubChem CID60886416
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(2-bromo-4-methylanilino)butan-2-ol
SMILESCCC(O)CNc1ccc(C)cc1Br
InChIInChI=1S/C11H16BrNO/c1-3-9(14)7-13-11-5-4-8(2)6-10(11)12/h4-6,9,13-14H,3,7H2,1-2H3
InChIKeyDRKSALMUJNQNBC-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-3-(2-bromo-4-methylanilino)-2-hydroxypropyl]azanium
CID 7452472
2-bromo-4-methyl-N-(2-methylbutyl)aniline
CID 43111742
1-(2-bromo-4-methylanilino)-3-(dimethylamino)propan-2-ol
CID 60897447
1-(2-fluoro-5-methylanilino)butan-2-ol
CID 60887090
2-[(2S)-3-(2-bromo-4-methylanilino)-2-hydroxypropyl]guanidine
CID 6543362
1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 60898402
1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
1-(2,5-dibromoanilino)butan-2-ol
CID 61467144
1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60898020
2-amino-3-(2-bromo-4-methylanilino)propanoic acid
CID 103231660
2,4-dibromo-N-(2-methylbutyl)aniline
CID 43683023
1-(3-bromo-4-iodoanilino)butan-2-ol
CID 130499884

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylanilino)butan-2-ol?
The IUPAC name of 1-(2-bromo-4-methylanilino)butan-2-ol (CID 60886416) is 1-(2-bromo-4-methylanilino)butan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-methylanilino)butan-2-ol?
The canonical SMILES for 1-(2-bromo-4-methylanilino)butan-2-ol is CCC(O)CNc1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylanilino)butan-2-ol?
The InChIKey is DRKSALMUJNQNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-9(14)7-13-11-5-4-8(2)6-10(11)12/h4-6,9,13-14H,3,7H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methylanilino)butan-2-ol?
1-(2-bromo-4-methylanilino)butan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylanilino)butan-2-ol is sourced from PubChem (CID 60886416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).