3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol

C17H27FN2O — CID 107714678

IUPAC3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol
SMILESCC(NCC(C(C)C)N1CCCC1)c1ccc(O)cc1F
InChIInChI=1S/C17H27FN2O/c1-12(2)17(20-8-4-5-9-20)11-19-13(3)15-7-6-14(21)10-16(15)18/h6-7,10,12-13,17,19,21H,4-5,8-9,11H2,1-3H3
InChIKeyFRORILWRDGLWAY-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.30
Rot. Bonds6

About 3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol

3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol (PubChem CID 107714678) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol
PubChem CID107714678
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol
SMILESCC(NCC(C(C)C)N1CCCC1)c1ccc(O)cc1F
InChIInChI=1S/C17H27FN2O/c1-12(2)17(20-8-4-5-9-20)11-19-13(3)15-7-6-14(21)10-16(15)18/h6-7,10,12-13,17,19,21H,4-5,8-9,11H2,1-3H3
InChIKeyFRORILWRDGLWAY-UHFFFAOYSA-N
XLogP3.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43100745
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CID 107721087
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 43207823
4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
CID 107715500
3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
CID 107715334
3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol
CID 107715127
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 107715392
N-[1-(3-bromophenyl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207807
4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 63212942
3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol
CID 107715132

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol (CID 107714678) is 3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol is CC(NCC(C(C)C)N1CCCC1)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol?
The InChIKey is FRORILWRDGLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-12(2)17(20-8-4-5-9-20)11-19-13(3)15-7-6-14(21)10-16(15)18/h6-7,10,12-13,17,19,21H,4-5,8-9,11H2,1-3H3.
What are the key properties of 3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol?
3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol has a molecular weight of 294.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol is sourced from PubChem (CID 107714678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).