4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol

C12H14BrNO — CID 115696439

IUPAC4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol
SMILESOc1ccc(Br)cc1CNC1CC=CC1
InChIInChI=1S/C12H14BrNO/c13-10-5-6-12(15)9(7-10)8-14-11-3-1-2-4-11/h1-2,5-7,11,14-15H,3-4,8H2
InChIKeyFPIABNDNVWXWNL-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.96
Rot. Bonds3

About 4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol

4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol (PubChem CID 115696439) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol
PubChem CID115696439
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol
SMILESOc1ccc(Br)cc1CNC1CC=CC1
InChIInChI=1S/C12H14BrNO/c13-10-5-6-12(15)9(7-10)8-14-11-3-1-2-4-11/h1-2,5-7,11,14-15H,3-4,8H2
InChIKeyFPIABNDNVWXWNL-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]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

2-[[[3,5-bis[(5-bromo-2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]-4-bromophenol
CID 177414869
4-bromo-2-[[[(1R,3S)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 22801896
4-bromo-2-[[(3,3-dimethylcyclopentyl)amino]methyl]phenol
CID 113345596
4-bromo-2-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 115693409
4-bromo-2-[(oxan-3-ylamino)methyl]phenol;hydrochloride
CID 115616396
4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol
CID 103668553
4-bromo-2-[[(3-ethylcyclohexyl)amino]methyl]phenol
CID 107737894
4-bromo-2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenol
CID 103846797
4-bromo-2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]phenol
CID 103702367
2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115696332
4-bromo-2-[(but-2-ynylamino)methyl]phenol
CID 115866209
N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115777600

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol?
The IUPAC name of 4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol (CID 115696439) is 4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol is Oc1ccc(Br)cc1CNC1CC=CC1.
What is the InChIKey of 4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol?
The InChIKey is FPIABNDNVWXWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-10-5-6-12(15)9(7-10)8-14-11-3-1-2-4-11/h1-2,5-7,11,14-15H,3-4,8H2.
What are the key properties of 4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol?
4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol has a molecular weight of 268.15 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(cyclopent-3-en-1-ylamino)methyl]phenol is sourced from PubChem (CID 115696439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).