3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol

C10H13BrINO — CID 130041409

IUPAC3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol
SMILESCC(N)(CCO)c1ccc(Br)c(I)c1
InChIInChI=1S/C10H13BrINO/c1-10(13,4-5-14)7-2-3-8(11)9(12)6-7/h2-3,6,14H,4-5,13H2,1H3
InChIKeyVAACECSDGYACIP-UHFFFAOYSA-N
MW370.03 g/mol
LogP2.61
Rot. Bonds3

About 3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol

3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol (PubChem CID 130041409) has the molecular formula C10H13BrINO and a molecular weight of 370.03 g/mol. Its IUPAC name is 3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol
PubChem CID130041409
Molecular FormulaC10H13BrINO
Molecular Weight370.03 g/mol
Exact Mass368.92
IUPAC Name3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol
SMILESCC(N)(CCO)c1ccc(Br)c(I)c1
InChIInChI=1S/C10H13BrINO/c1-10(13,4-5-14)7-2-3-8(11)9(12)6-7/h2-3,6,14H,4-5,13H2,1H3
InChIKeyVAACECSDGYACIP-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.03
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol?
The IUPAC name of 3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol (CID 130041409) is 3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol.
What is the SMILES notation for 3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol?
The canonical SMILES for 3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol is CC(N)(CCO)c1ccc(Br)c(I)c1.
What is the InChIKey of 3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol?
The InChIKey is VAACECSDGYACIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrINO/c1-10(13,4-5-14)7-2-3-8(11)9(12)6-7/h2-3,6,14H,4-5,13H2,1H3.
What are the key properties of 3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol?
3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol has a molecular weight of 370.03 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-bromo-3-iodophenyl)butan-1-ol is sourced from PubChem (CID 130041409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).