1-(3-bromo-5-chloroanilino)butan-2-ol

C10H13BrClNO — CID 131187308

IUPAC1-(3-bromo-5-chloroanilino)butan-2-ol
SMILESCCC(O)CNc1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H13BrClNO/c1-2-10(14)6-13-9-4-7(11)3-8(12)5-9/h3-5,10,13-14H,2,6H2,1H3
InChIKeyPJVQSECLDFHDFC-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.29
Rot. Bonds4

About 1-(3-bromo-5-chloroanilino)butan-2-ol

1-(3-bromo-5-chloroanilino)butan-2-ol (PubChem CID 131187308) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 1-(3-bromo-5-chloroanilino)butan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-chloroanilino)butan-2-ol
PubChem CID131187308
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name1-(3-bromo-5-chloroanilino)butan-2-ol
SMILESCCC(O)CNc1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H13BrClNO/c1-2-10(14)6-13-9-4-7(11)3-8(12)5-9/h3-5,10,13-14H,2,6H2,1H3
InChIKeyPJVQSECLDFHDFC-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-chloroanilino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol
CID 168636370
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411
1-amino-3-(3,5-dichloroanilino)propan-2-ol
CID 82044189
1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60897711
1-(3-bromo-4-iodoanilino)butan-2-ol
CID 130499884
(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
(2S)-3-[3-bromo-5-(trifluoromethyl)anilino]propane-1,2-diol
CID 65490427
1-(2,5-dibromoanilino)butan-2-ol
CID 61467144
3,5-dibromo-N-(2-methylpropyl)aniline
CID 154120132
1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 107583006
(2S)-1-[(5-chloropyrimidin-2-yl)amino]butan-2-ol
CID 130680092

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloroanilino)butan-2-ol?
The IUPAC name of 1-(3-bromo-5-chloroanilino)butan-2-ol (CID 131187308) is 1-(3-bromo-5-chloroanilino)butan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-chloroanilino)butan-2-ol?
The canonical SMILES for 1-(3-bromo-5-chloroanilino)butan-2-ol is CCC(O)CNc1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chloroanilino)butan-2-ol?
The InChIKey is PJVQSECLDFHDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-2-10(14)6-13-9-4-7(11)3-8(12)5-9/h3-5,10,13-14H,2,6H2,1H3.
What are the key properties of 1-(3-bromo-5-chloroanilino)butan-2-ol?
1-(3-bromo-5-chloroanilino)butan-2-ol has a molecular weight of 278.58 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloroanilino)butan-2-ol is sourced from PubChem (CID 131187308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).