4-bromo-3-[3-(methylamino)prop-1-enyl]phenol

C10H12BrNO — CID 169474804

IUPAC4-bromo-3-[3-(methylamino)prop-1-enyl]phenol
SMILESCNCC=Cc1cc(O)ccc1Br
InChIInChI=1S/C10H12BrNO/c1-12-6-2-3-8-7-9(13)4-5-10(8)11/h2-5,7,12-13H,6H2,1H3
InChIKeyUXHRDHAQXHJMOY-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.39
Rot. Bonds3

About 4-bromo-3-[3-(methylamino)prop-1-enyl]phenol

4-bromo-3-[3-(methylamino)prop-1-enyl]phenol (PubChem CID 169474804) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 4-bromo-3-[3-(methylamino)prop-1-enyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[3-(methylamino)prop-1-enyl]phenol
PubChem CID169474804
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name4-bromo-3-[3-(methylamino)prop-1-enyl]phenol
SMILESCNCC=Cc1cc(O)ccc1Br
InChIInChI=1S/C10H12BrNO/c1-12-6-2-3-8-7-9(13)4-5-10(8)11/h2-5,7,12-13H,6H2,1H3
InChIKeyUXHRDHAQXHJMOY-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[3-(methylamino)prop-1-enyl]phenol?
The IUPAC name of 4-bromo-3-[3-(methylamino)prop-1-enyl]phenol (CID 169474804) is 4-bromo-3-[3-(methylamino)prop-1-enyl]phenol.
What is the SMILES notation for 4-bromo-3-[3-(methylamino)prop-1-enyl]phenol?
The canonical SMILES for 4-bromo-3-[3-(methylamino)prop-1-enyl]phenol is CNCC=Cc1cc(O)ccc1Br.
What is the InChIKey of 4-bromo-3-[3-(methylamino)prop-1-enyl]phenol?
The InChIKey is UXHRDHAQXHJMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-12-6-2-3-8-7-9(13)4-5-10(8)11/h2-5,7,12-13H,6H2,1H3.
What are the key properties of 4-bromo-3-[3-(methylamino)prop-1-enyl]phenol?
4-bromo-3-[3-(methylamino)prop-1-enyl]phenol has a molecular weight of 242.12 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[3-(methylamino)prop-1-enyl]phenol is sourced from PubChem (CID 169474804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).