2-amino-1-(4-bromophenyl)propan-1-ol

C9H12BrNO — CID 19422955

IUPAC2-amino-1-(4-bromophenyl)propan-1-ol
SMILESCC(N)C(O)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3
InChIKeyCLWNDLFWAFLCSS-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.83
Rot. Bonds2

About 2-amino-1-(4-bromophenyl)propan-1-ol

2-amino-1-(4-bromophenyl)propan-1-ol (PubChem CID 19422955) has the molecular formula C9H12BrNO and a molecular weight of 230.11 g/mol. Its IUPAC name is 2-amino-1-(4-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-bromophenyl)propan-1-ol
PubChem CID19422955
Molecular FormulaC9H12BrNO
Molecular Weight230.11 g/mol
Exact Mass229.01
IUPAC Name2-amino-1-(4-bromophenyl)propan-1-ol
SMILESCC(N)C(O)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3
InChIKeyCLWNDLFWAFLCSS-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromophenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-bromophenyl)propan-1-ol (CID 19422955) is 2-amino-1-(4-bromophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-bromophenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-bromophenyl)propan-1-ol is CC(N)C(O)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-1-(4-bromophenyl)propan-1-ol?
The InChIKey is CLWNDLFWAFLCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3.
What are the key properties of 2-amino-1-(4-bromophenyl)propan-1-ol?
2-amino-1-(4-bromophenyl)propan-1-ol has a molecular weight of 230.11 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromophenyl)propan-1-ol is sourced from PubChem (CID 19422955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).