5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol

C12H15BrFNO — CID 84814384

IUPAC5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
SMILESNCC1(c2cc(O)c(Br)c(F)c2)CCCC1
InChIInChI=1S/C12H15BrFNO/c13-11-9(14)5-8(6-10(11)16)12(7-15)3-1-2-4-12/h5-6,16H,1-4,7,15H2
InChIKeyMTSZEXJNMVDVSE-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.06
Rot. Bonds2

About 5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol

5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol (PubChem CID 84814384) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
PubChem CID84814384
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
SMILESNCC1(c2cc(O)c(Br)c(F)c2)CCCC1
InChIInChI=1S/C12H15BrFNO/c13-11-9(14)5-8(6-10(11)16)12(7-15)3-1-2-4-12/h5-6,16H,1-4,7,15H2
InChIKeyMTSZEXJNMVDVSE-UHFFFAOYSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol 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

[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
CID 84806909
5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117286781
5-[1-(aminomethyl)cyclopentyl]-3-chloro-2-fluorophenol
CID 84802259
4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
CID 84775167
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
4-[1-(aminomethyl)cyclopentyl]-2,6-difluorobenzoic acid
CID 117390771
[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
CID 117492969
4-[1-(aminomethyl)cyclohexyl]-2,6-difluorobenzoic acid
CID 117426291
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid
CID 117421573
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol?
The IUPAC name of 5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol (CID 84814384) is 5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol.
What is the SMILES notation for 5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol?
The canonical SMILES for 5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol is NCC1(c2cc(O)c(Br)c(F)c2)CCCC1.
What is the InChIKey of 5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol?
The InChIKey is MTSZEXJNMVDVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-9(14)5-8(6-10(11)16)12(7-15)3-1-2-4-12/h5-6,16H,1-4,7,15H2.
What are the key properties of 5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol?
5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol has a molecular weight of 288.16 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol is sourced from PubChem (CID 84814384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).