(2-amino-5-bromophenyl)-phenylmethanol

C13H12BrNO — CID 3305606

IUPAC(2-amino-5-bromophenyl)-phenylmethanol
SMILESNc1ccc(Br)cc1C(O)c1ccccc1
InChIInChI=1S/C13H12BrNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,13,16H,15H2
InChIKeyCDXWVAUHLDQJEZ-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.11
Rot. Bonds2

About (2-amino-5-bromophenyl)-phenylmethanol

(2-amino-5-bromophenyl)-phenylmethanol (PubChem CID 3305606) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-phenylmethanol.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-phenylmethanol
PubChem CID3305606
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name(2-amino-5-bromophenyl)-phenylmethanol
SMILESNc1ccc(Br)cc1C(O)c1ccccc1
InChIInChI=1S/C13H12BrNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,13,16H,15H2
InChIKeyCDXWVAUHLDQJEZ-UHFFFAOYSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.11
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-amino-5-bromophenyl)-phenylmethanol?
The IUPAC name of (2-amino-5-bromophenyl)-phenylmethanol (CID 3305606) is (2-amino-5-bromophenyl)-phenylmethanol.
What is the SMILES notation for (2-amino-5-bromophenyl)-phenylmethanol?
The canonical SMILES for (2-amino-5-bromophenyl)-phenylmethanol is Nc1ccc(Br)cc1C(O)c1ccccc1.
What is the InChIKey of (2-amino-5-bromophenyl)-phenylmethanol?
The InChIKey is CDXWVAUHLDQJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,13,16H,15H2.
What are the key properties of (2-amino-5-bromophenyl)-phenylmethanol?
(2-amino-5-bromophenyl)-phenylmethanol has a molecular weight of 278.15 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-phenylmethanol is sourced from PubChem (CID 3305606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).