2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol

C10H14BrNO — CID 117113672

IUPAC2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Br)c(N)c1
InChIInChI=1S/C10H14BrNO/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5,13H,6,12H2,1-2H3
InChIKeyOZPBOJXTIVVKDA-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.30
Rot. Bonds2

About 2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol

2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol (PubChem CID 117113672) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol
PubChem CID117113672
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Br)c(N)c1
InChIInChI=1S/C10H14BrNO/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5,13H,6,12H2,1-2H3
InChIKeyOZPBOJXTIVVKDA-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol (CID 117113672) is 2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol is CC(C)(CO)c1ccc(Br)c(N)c1.
What is the InChIKey of 2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol?
The InChIKey is OZPBOJXTIVVKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5,13H,6,12H2,1-2H3.
What are the key properties of 2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol?
2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol has a molecular weight of 244.13 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117113672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).