1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol

C14H22FNO — CID 114059089

IUPAC1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol
SMILESCCCCCN(C)c1c(F)cccc1C(C)O
InChIInChI=1S/C14H22FNO/c1-4-5-6-10-16(3)14-12(11(2)17)8-7-9-13(14)15/h7-9,11,17H,4-6,10H2,1-3H3
InChIKeyYRZHKWVZMIIHRA-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.51
Rot. Bonds6

About 1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol

1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol (PubChem CID 114059089) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol
PubChem CID114059089
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol
SMILESCCCCCN(C)c1c(F)cccc1C(C)O
InChIInChI=1S/C14H22FNO/c1-4-5-6-10-16(3)14-12(11(2)17)8-7-9-13(14)15/h7-9,11,17H,4-6,10H2,1-3H3
InChIKeyYRZHKWVZMIIHRA-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
CID 63370824
3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
CID 114059235
2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
CID 114059093
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 114059096
(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
CID 78939586
1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 114059130
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline
CID 114058799
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
1-(2-chloro-3-fluorophenyl)hexan-1-ol
CID 115784419
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol (CID 114059089) is 1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol is CCCCCN(C)c1c(F)cccc1C(C)O.
What is the InChIKey of 1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol?
The InChIKey is YRZHKWVZMIIHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-5-6-10-16(3)14-12(11(2)17)8-7-9-13(14)15/h7-9,11,17H,4-6,10H2,1-3H3.
What are the key properties of 1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol?
1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol has a molecular weight of 239.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol is sourced from PubChem (CID 114059089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).