1-(3-bromo-N,4-dimethylanilino)propan-2-ol

C11H16BrNO — CID 54152954

IUPAC1-(3-bromo-N,4-dimethylanilino)propan-2-ol
SMILESCc1ccc(N(C)CC(C)O)cc1Br
InChIInChI=1S/C11H16BrNO/c1-8-4-5-10(6-11(8)12)13(3)7-9(2)14/h4-6,9,14H,7H2,1-3H3
InChIKeyOIZZPLIBUFLZOZ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.57
Rot. Bonds3

About 1-(3-bromo-N,4-dimethylanilino)propan-2-ol

1-(3-bromo-N,4-dimethylanilino)propan-2-ol (PubChem CID 54152954) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(3-bromo-N,4-dimethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-N,4-dimethylanilino)propan-2-ol
PubChem CID54152954
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(3-bromo-N,4-dimethylanilino)propan-2-ol
SMILESCc1ccc(N(C)CC(C)O)cc1Br
InChIInChI=1S/C11H16BrNO/c1-8-4-5-10(6-11(8)12)13(3)7-9(2)14/h4-6,9,14H,7H2,1-3H3
InChIKeyOIZZPLIBUFLZOZ-UHFFFAOYSA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-N,4-dimethylanilino)propan-2-ol?
The IUPAC name of 1-(3-bromo-N,4-dimethylanilino)propan-2-ol (CID 54152954) is 1-(3-bromo-N,4-dimethylanilino)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-N,4-dimethylanilino)propan-2-ol?
The canonical SMILES for 1-(3-bromo-N,4-dimethylanilino)propan-2-ol is Cc1ccc(N(C)CC(C)O)cc1Br.
What is the InChIKey of 1-(3-bromo-N,4-dimethylanilino)propan-2-ol?
The InChIKey is OIZZPLIBUFLZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8-4-5-10(6-11(8)12)13(3)7-9(2)14/h4-6,9,14H,7H2,1-3H3.
What are the key properties of 1-(3-bromo-N,4-dimethylanilino)propan-2-ol?
1-(3-bromo-N,4-dimethylanilino)propan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-N,4-dimethylanilino)propan-2-ol is sourced from PubChem (CID 54152954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).