[5-bromo-2-(methylamino)phenyl]-phenylmethanol

C14H14BrNO — CID 5187018

IUPAC[5-bromo-2-(methylamino)phenyl]-phenylmethanol
SMILESCNc1ccc(Br)cc1C(O)c1ccccc1
InChIInChI=1S/C14H14BrNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,14,16-17H,1H3
InChIKeyUANNCZVAVVEVCB-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.57
Rot. Bonds3

About [5-bromo-2-(methylamino)phenyl]-phenylmethanol

[5-bromo-2-(methylamino)phenyl]-phenylmethanol (PubChem CID 5187018) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is [5-bromo-2-(methylamino)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[5-bromo-2-(methylamino)phenyl]-phenylmethanol
PubChem CID5187018
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name[5-bromo-2-(methylamino)phenyl]-phenylmethanol
SMILESCNc1ccc(Br)cc1C(O)c1ccccc1
InChIInChI=1S/C14H14BrNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,14,16-17H,1H3
InChIKeyUANNCZVAVVEVCB-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(methylamino)phenyl]-phenylmethanol?
The IUPAC name of [5-bromo-2-(methylamino)phenyl]-phenylmethanol (CID 5187018) is [5-bromo-2-(methylamino)phenyl]-phenylmethanol.
What is the SMILES notation for [5-bromo-2-(methylamino)phenyl]-phenylmethanol?
The canonical SMILES for [5-bromo-2-(methylamino)phenyl]-phenylmethanol is CNc1ccc(Br)cc1C(O)c1ccccc1.
What is the InChIKey of [5-bromo-2-(methylamino)phenyl]-phenylmethanol?
The InChIKey is UANNCZVAVVEVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,14,16-17H,1H3.
What are the key properties of [5-bromo-2-(methylamino)phenyl]-phenylmethanol?
[5-bromo-2-(methylamino)phenyl]-phenylmethanol has a molecular weight of 292.18 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(methylamino)phenyl]-phenylmethanol is sourced from PubChem (CID 5187018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).