3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol

C12H18FNO — CID 107720983

IUPAC3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol
SMILESCCCN(C)C(C)c1ccc(O)cc1F
InChIInChI=1S/C12H18FNO/c1-4-7-14(3)9(2)11-6-5-10(15)8-12(11)13/h5-6,8-9,15H,4,7H2,1-3H3
InChIKeyOYEKXHJZHWHTDG-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.93
Rot. Bonds4

About 3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol

3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol (PubChem CID 107720983) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol
PubChem CID107720983
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol
SMILESCCCN(C)C(C)c1ccc(O)cc1F
InChIInChI=1S/C12H18FNO/c1-4-7-14(3)9(2)11-6-5-10(15)8-12(11)13/h5-6,8-9,15H,4,7H2,1-3H3
InChIKeyOYEKXHJZHWHTDG-UHFFFAOYSA-N
XLogP2.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide
CID 107721203
2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 107721043
3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol
CID 107720804
3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
CID 107721166
3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
CID 107721055
4-(1-amino-2-methylpropyl)-3-fluorophenol
CID 55282884
1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine
CID 86866890
4-[(1S)-1-aminohexyl]-3-fluorophenol;hydrochloride
CID 171218697
4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3-fluorophenol
CID 171266743
4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol
CID 107720760
3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 107721085
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol (CID 107720983) is 3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol is CCCN(C)C(C)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol?
The InChIKey is OYEKXHJZHWHTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-7-14(3)9(2)11-6-5-10(15)8-12(11)13/h5-6,8-9,15H,4,7H2,1-3H3.
What are the key properties of 3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol?
3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol has a molecular weight of 211.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol is sourced from PubChem (CID 107720983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).