1-(3-bromo-4-iodoanilino)butan-2-ol

C10H13BrINO — CID 130499884

IUPAC1-(3-bromo-4-iodoanilino)butan-2-ol
SMILESCCC(O)CNc1ccc(I)c(Br)c1
InChIInChI=1S/C10H13BrINO/c1-2-8(14)6-13-7-3-4-10(12)9(11)5-7/h3-5,8,13-14H,2,6H2,1H3
InChIKeyBMHBWJYCUNWGEG-UHFFFAOYSA-N
MW370.03 g/mol
LogP3.24
Rot. Bonds4

About 1-(3-bromo-4-iodoanilino)butan-2-ol

1-(3-bromo-4-iodoanilino)butan-2-ol (PubChem CID 130499884) has the molecular formula C10H13BrINO and a molecular weight of 370.03 g/mol. Its IUPAC name is 1-(3-bromo-4-iodoanilino)butan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-iodoanilino)butan-2-ol
PubChem CID130499884
Molecular FormulaC10H13BrINO
Molecular Weight370.03 g/mol
Exact Mass368.92
IUPAC Name1-(3-bromo-4-iodoanilino)butan-2-ol
SMILESCCC(O)CNc1ccc(I)c(Br)c1
InChIInChI=1S/C10H13BrINO/c1-2-8(14)6-13-7-3-4-10(12)9(11)5-7/h3-5,8,13-14H,2,6H2,1H3
InChIKeyBMHBWJYCUNWGEG-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.03
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(3-bromo-4-iodoanilino)propan-2-ol
CID 130499916
3-bromo-4-iodo-N-propylaniline
CID 130499837
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
3-bromo-4-iodo-N-(2-phenylpropyl)aniline
CID 114261902
2-(3-bromo-4-iodoanilino)-N-butan-2-ylacetamide
CID 113230608
1-(2,5-dibromoanilino)butan-2-ol
CID 61467144
1-(2-bromo-4-methylanilino)butan-2-ol
CID 60886416
3-bromo-4-iodo-N-(5-methylheptan-3-yl)aniline
CID 114261964
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411
(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022
3-(3-bromo-4-chloroanilino)propane-1,2-diol
CID 82850538
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-iodoanilino)butan-2-ol?
The IUPAC name of 1-(3-bromo-4-iodoanilino)butan-2-ol (CID 130499884) is 1-(3-bromo-4-iodoanilino)butan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-iodoanilino)butan-2-ol?
The canonical SMILES for 1-(3-bromo-4-iodoanilino)butan-2-ol is CCC(O)CNc1ccc(I)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-iodoanilino)butan-2-ol?
The InChIKey is BMHBWJYCUNWGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrINO/c1-2-8(14)6-13-7-3-4-10(12)9(11)5-7/h3-5,8,13-14H,2,6H2,1H3.
What are the key properties of 1-(3-bromo-4-iodoanilino)butan-2-ol?
1-(3-bromo-4-iodoanilino)butan-2-ol has a molecular weight of 370.03 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-iodoanilino)butan-2-ol is sourced from PubChem (CID 130499884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).