2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol

C16H25FN2O — CID 106606881

IUPAC2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCC(Cc1ccc(F)cc1)N(CCO)CC1CCCN1
InChIInChI=1S/C16H25FN2O/c1-13(11-14-4-6-15(17)7-5-14)19(9-10-20)12-16-3-2-8-18-16/h4-7,13,16,18,20H,2-3,8-12H2,1H3
InChIKeyZKTRNDFEZGXXQM-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.80
Rot. Bonds7

About 2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106606881) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106606881
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCC(Cc1ccc(F)cc1)N(CCO)CC1CCCN1
InChIInChI=1S/C16H25FN2O/c1-13(11-14-4-6-15(17)7-5-14)19(9-10-20)12-16-3-2-8-18-16/h4-7,13,16,18,20H,2-3,8-12H2,1H3
InChIKeyZKTRNDFEZGXXQM-UHFFFAOYSA-N
XLogP1.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622418
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
CID 106623292
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606559
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606385
2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606795
2-[1-(2,4-dimethylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606920
2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618117

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106606881) is 2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol is CC(Cc1ccc(F)cc1)N(CCO)CC1CCCN1.
What is the InChIKey of 2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is ZKTRNDFEZGXXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13(11-14-4-6-15(17)7-5-14)19(9-10-20)12-16-3-2-8-18-16/h4-7,13,16,18,20H,2-3,8-12H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 280.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106606881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).