2-[3-(dimethylamino)propyl]-5-fluorophenol

C11H16FNO — CID 170865708

IUPAC2-[3-(dimethylamino)propyl]-5-fluorophenol
SMILESCN(C)CCCc1ccc(F)cc1O
InChIInChI=1S/C11H16FNO/c1-13(2)7-3-4-9-5-6-10(12)8-11(9)14/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyBJUMHYRELZWZKQ-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.03
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]-5-fluorophenol

2-[3-(dimethylamino)propyl]-5-fluorophenol (PubChem CID 170865708) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-5-fluorophenol
PubChem CID170865708
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-[3-(dimethylamino)propyl]-5-fluorophenol
SMILESCN(C)CCCc1ccc(F)cc1O
InChIInChI=1S/C11H16FNO/c1-13(2)7-3-4-9-5-6-10(12)8-11(9)14/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyBJUMHYRELZWZKQ-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(dimethylamino)propyl]-5-methoxyphenol
CID 170865157
2-[3-(dimethylamino)propyl]-4,6-difluorophenol
CID 170865567
2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-fluorophenol
CID 107701908
ethane;5-fluoro-2-propylphenol
CID 143012210
4-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865239
3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170867012
3-(4-fluoro-2-hydroxyphenyl)propanal
CID 117276586
3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine
CID 170865603
5-fluoro-2-(methylaminomethyl)phenol
CID 82595579
5-[3-(dimethylamino)propyl]benzene-1,2,3-triol
CID 170865399
4-(4-fluoro-2-methylphenyl)butan-1-ol
CID 54363918
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-5-fluorophenol?
The IUPAC name of 2-[3-(dimethylamino)propyl]-5-fluorophenol (CID 170865708) is 2-[3-(dimethylamino)propyl]-5-fluorophenol.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-5-fluorophenol?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-5-fluorophenol is CN(C)CCCc1ccc(F)cc1O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-5-fluorophenol?
The InChIKey is BJUMHYRELZWZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-13(2)7-3-4-9-5-6-10(12)8-11(9)14/h5-6,8,14H,3-4,7H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-5-fluorophenol?
2-[3-(dimethylamino)propyl]-5-fluorophenol has a molecular weight of 197.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-5-fluorophenol is sourced from PubChem (CID 170865708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).