5-(aminomethyl)-2-fluorophenol;hydrobromide

C7H9BrFNO — CID 68744209

IUPAC5-(aminomethyl)-2-fluorophenol;hydrobromide
SMILESBr.NCc1ccc(F)c(O)c1
InChIInChI=1S/C7H8FNO.BrH/c8-6-2-1-5(4-9)3-7(6)10;/h1-3,10H,4,9H2;1H
InChIKeyGNQKQSOPPKGVKL-UHFFFAOYSA-N
MW222.06 g/mol
LogP1.57
Rot. Bonds1

About 5-(aminomethyl)-2-fluorophenol;hydrobromide

5-(aminomethyl)-2-fluorophenol;hydrobromide (PubChem CID 68744209) has the molecular formula C7H9BrFNO and a molecular weight of 222.06 g/mol. Its IUPAC name is 5-(aminomethyl)-2-fluorophenol;hydrobromide.

Molecular Properties

Compound Name5-(aminomethyl)-2-fluorophenol;hydrobromide
PubChem CID68744209
Molecular FormulaC7H9BrFNO
Molecular Weight222.06 g/mol
Exact Mass220.99
IUPAC Name5-(aminomethyl)-2-fluorophenol;hydrobromide
SMILESBr.NCc1ccc(F)c(O)c1
InChIInChI=1S/C7H8FNO.BrH/c8-6-2-1-5(4-9)3-7(6)10;/h1-3,10H,4,9H2;1H
InChIKeyGNQKQSOPPKGVKL-UHFFFAOYSA-N
XLogP1.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.06
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
5-[(2R)-2-aminopropyl]-2-(18F)fluoro(18F)phenol
CID 67474806
5-(aminomethyl)-2-fluorobenzenethiol
CID 90352898
2-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol
CID 84765888
(4-fluoro-3-hydroxyphenyl)methyl acetate
CID 130354561
5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide
CID 14901828
2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
ethane;2-fluorophenol;(4-methylphenyl)methanamine
CID 156804974
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031
4-(aminomethyl)-2-(difluoromethyl)phenol
CID 84654551
5-(aminomethyl)-2-methoxyphenol
CID 1132998
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-fluorophenol;hydrobromide?
The IUPAC name of 5-(aminomethyl)-2-fluorophenol;hydrobromide (CID 68744209) is 5-(aminomethyl)-2-fluorophenol;hydrobromide.
What is the SMILES notation for 5-(aminomethyl)-2-fluorophenol;hydrobromide?
The canonical SMILES for 5-(aminomethyl)-2-fluorophenol;hydrobromide is Br.NCc1ccc(F)c(O)c1.
What is the InChIKey of 5-(aminomethyl)-2-fluorophenol;hydrobromide?
The InChIKey is GNQKQSOPPKGVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO.BrH/c8-6-2-1-5(4-9)3-7(6)10;/h1-3,10H,4,9H2;1H.
What are the key properties of 5-(aminomethyl)-2-fluorophenol;hydrobromide?
5-(aminomethyl)-2-fluorophenol;hydrobromide has a molecular weight of 222.06 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-fluorophenol;hydrobromide is sourced from PubChem (CID 68744209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).