5-bromo-2-[3-(methylamino)prop-1-enyl]phenol

C10H12BrNO — CID 169474606

IUPAC5-bromo-2-[3-(methylamino)prop-1-enyl]phenol
SMILESCNCC=Cc1ccc(Br)cc1O
InChIInChI=1S/C10H12BrNO/c1-12-6-2-3-8-4-5-9(11)7-10(8)13/h2-5,7,12-13H,6H2,1H3
InChIKeyMTLHWFOPBXMLKQ-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.39
Rot. Bonds3

About 5-bromo-2-[3-(methylamino)prop-1-enyl]phenol

5-bromo-2-[3-(methylamino)prop-1-enyl]phenol (PubChem CID 169474606) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-2-[3-(methylamino)prop-1-enyl]phenol.

Molecular Properties

Compound Name5-bromo-2-[3-(methylamino)prop-1-enyl]phenol
PubChem CID169474606
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name5-bromo-2-[3-(methylamino)prop-1-enyl]phenol
SMILESCNCC=Cc1ccc(Br)cc1O
InChIInChI=1S/C10H12BrNO/c1-12-6-2-3-8-4-5-9(11)7-10(8)13/h2-5,7,12-13H,6H2,1H3
InChIKeyMTLHWFOPBXMLKQ-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

Analyze 5-bromo-2-[3-(methylamino)prop-1-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(3-chloroprop-1-enyl)phenol
CID 169478321
3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine
CID 169474633
4-bromo-3-[3-(methylamino)prop-1-enyl]phenol
CID 169474804
3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 169474594
3-(4-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347354
2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol
CID 169474120
3-(4-bromo-2-hydroxyphenyl)prop-2-enoic acid
CID 169461099
2-[3-(methylamino)prop-1-enyl]-4-nitrophenol
CID 169474036
4-bromo-2-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641145
2,4-dihydroxy-5-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474071
methyl 3-bromo-4-[3-(methylamino)prop-1-enyl]benzoate
CID 169474662
N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
CID 169466523

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(methylamino)prop-1-enyl]phenol?
The IUPAC name of 5-bromo-2-[3-(methylamino)prop-1-enyl]phenol (CID 169474606) is 5-bromo-2-[3-(methylamino)prop-1-enyl]phenol.
What is the SMILES notation for 5-bromo-2-[3-(methylamino)prop-1-enyl]phenol?
The canonical SMILES for 5-bromo-2-[3-(methylamino)prop-1-enyl]phenol is CNCC=Cc1ccc(Br)cc1O.
What is the InChIKey of 5-bromo-2-[3-(methylamino)prop-1-enyl]phenol?
The InChIKey is MTLHWFOPBXMLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-12-6-2-3-8-4-5-9(11)7-10(8)13/h2-5,7,12-13H,6H2,1H3.
What are the key properties of 5-bromo-2-[3-(methylamino)prop-1-enyl]phenol?
5-bromo-2-[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 5-bromo-2-[3-(methylamino)prop-1-enyl]phenol is sourced from PubChem (CID 169474606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).