5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide

C14H23BrFNO — CID 14901828

IUPAC5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide
SMILESBr.CCCN(CCC)CCc1ccc(F)c(O)c1
InChIInChI=1S/C14H22FNO.BrH/c1-3-8-16(9-4-2)10-7-12-5-6-13(15)14(17)11-12;/h5-6,11,17H,3-4,7-10H2,1-2H3;1H
InChIKeyNBBPEWWHOILQIU-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.77
Rot. Bonds7

About 5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide

5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide (PubChem CID 14901828) has the molecular formula C14H23BrFNO and a molecular weight of 320.25 g/mol. Its IUPAC name is 5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide.

Molecular Properties

Compound Name5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide
PubChem CID14901828
Molecular FormulaC14H23BrFNO
Molecular Weight320.25 g/mol
Exact Mass319.09
IUPAC Name5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide
SMILESBr.CCCN(CCC)CCc1ccc(F)c(O)c1
InChIInChI=1S/C14H22FNO.BrH/c1-3-8-16(9-4-2)10-7-12-5-6-13(15)14(17)11-12;/h5-6,11,17H,3-4,7-10H2,1-2H3;1H
InChIKeyNBBPEWWHOILQIU-UHFFFAOYSA-N
XLogP3.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide
CID 14901824
4-[2-[ethyl(propyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672365
4-[2-[pentyl(propyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672369
4-[2-(dipropylamino)ethyl]benzene-1,2-diamine
CID 10014310
4-chloro-2-[2-(dipropylamino)ethyl]phenol
CID 10491251
2-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol
CID 84765888
N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098
N-(2-naphthalen-2-ylethyl)-N-propylpropan-1-amine
CID 11230589
5-(aminomethyl)-2-fluorophenol;hydrobromide
CID 68744209
N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
CID 78821646
4-[2-[butyl(ethyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672367
4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71442477

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide?
The IUPAC name of 5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide (CID 14901828) is 5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide.
What is the SMILES notation for 5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide?
The canonical SMILES for 5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide is Br.CCCN(CCC)CCc1ccc(F)c(O)c1.
What is the InChIKey of 5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide?
The InChIKey is NBBPEWWHOILQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO.BrH/c1-3-8-16(9-4-2)10-7-12-5-6-13(15)14(17)11-12;/h5-6,11,17H,3-4,7-10H2,1-2H3;1H.
What are the key properties of 5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide?
5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide has a molecular weight of 320.25 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide is sourced from PubChem (CID 14901828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).