1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol

C11H16BrClN2O — CID 107619934

IUPAC1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H16BrClN2O/c1-15(2)7-9(16)6-14-8-3-4-10(12)11(13)5-8/h3-5,9,14,16H,6-7H2,1-2H3
InChIKeyJNUPQPKLUDWJKO-UHFFFAOYSA-N
MW307.62 g/mol
LogP2.44
Rot. Bonds5

About 1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol

1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol (PubChem CID 107619934) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol
PubChem CID107619934
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H16BrClN2O/c1-15(2)7-9(16)6-14-8-3-4-10(12)11(13)5-8/h3-5,9,14,16H,6-7H2,1-2H3
InChIKeyJNUPQPKLUDWJKO-UHFFFAOYSA-N
XLogP2.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-(2-methylpropyl)aniline
CID 83326794
1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol
CID 60900023
1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol
CID 60897390
1-(2-bromo-4-methylanilino)-3-(dimethylamino)propan-2-ol
CID 60897447
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
CID 60897509
3-(3-bromo-4-chloroanilino)propane-1,2-diol
CID 82850538
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853
1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol
CID 60902054
1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol
CID 83108692
2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol
CID 107619841
1-(3-bromo-4-chloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990160

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol (CID 107619934) is 1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol is CN(C)CC(O)CNc1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol?
The InChIKey is JNUPQPKLUDWJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O/c1-15(2)7-9(16)6-14-8-3-4-10(12)11(13)5-8/h3-5,9,14,16H,6-7H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol?
1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol has a molecular weight of 307.62 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 107619934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).