2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol

C16H25FN2O2 — CID 106606559

IUPAC2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCOc1cccc(F)c1C(C)N(CCO)CC1CCCN1
InChIInChI=1S/C16H25FN2O2/c1-12(16-14(17)6-3-7-15(16)21-2)19(9-10-20)11-13-5-4-8-18-13/h3,6-7,12-13,18,20H,4-5,8-11H2,1-2H3
InChIKeyYSBSUUAHRLIOPD-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.94
Rot. Bonds7

About 2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106606559) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106606559
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCOc1cccc(F)c1C(C)N(CCO)CC1CCCN1
InChIInChI=1S/C16H25FN2O2/c1-12(16-14(17)6-3-7-15(16)21-2)19(9-10-20)11-13-5-4-8-18-13/h3,6-7,12-13,18,20H,4-5,8-11H2,1-2H3
InChIKeyYSBSUUAHRLIOPD-UHFFFAOYSA-N
XLogP1.94
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607019
2-[1-(2-methoxy-5-methylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606918
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605738
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606881
2-[1-(2,4-dimethylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606920
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911
1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605901
1-(2-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106623052
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106606559) is 2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol is COc1cccc(F)c1C(C)N(CCO)CC1CCCN1.
What is the InChIKey of 2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is YSBSUUAHRLIOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-12(16-14(17)6-3-7-15(16)21-2)19(9-10-20)11-13-5-4-8-18-13/h3,6-7,12-13,18,20H,4-5,8-11H2,1-2H3.
What are the key properties of 2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 296.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106606559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).