(2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol

C20H25FN2O — CID 171359477

IUPAC(2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol
SMILESCN[C@@H](CO)c1cccc(-c2cc(CN3CCCC3)ccc2F)c1
InChIInChI=1S/C20H25FN2O/c1-22-20(14-24)17-6-4-5-16(12-17)18-11-15(7-8-19(18)21)13-23-9-2-3-10-23/h4-8,11-12,20,22,24H,2-3,9-10,13-14H2,1H3/t20-/m0/s1
InChIKeyZWXCDGLKRLFHEF-FQEVSTJZSA-N
MW328.43 g/mol
LogP3.34
Rot. Bonds6

About (2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol

(2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol (PubChem CID 171359477) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is (2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol
PubChem CID171359477
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name(2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol
SMILESCN[C@@H](CO)c1cccc(-c2cc(CN3CCCC3)ccc2F)c1
InChIInChI=1S/C20H25FN2O/c1-22-20(14-24)17-6-4-5-16(12-17)18-11-15(7-8-19(18)21)13-23-9-2-3-10-23/h4-8,11-12,20,22,24H,2-3,9-10,13-14H2,1H3/t20-/m0/s1
InChIKeyZWXCDGLKRLFHEF-FQEVSTJZSA-N
XLogP3.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(R)-(-)-N-Benzyl-2-phenylglycinol
CID 10656907
3-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 15944997
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(tetrahydrofuran-3-yl)phenyl)cyclopropylamino)butan-2-yl)acetamide
CID 52942213
(2R,3R,4R)-2-(4-phenylphenyl)pyrrolidine-3,4-diol;hydrochloride
CID 168293905
1-Propanol, 2-(benzylamino)-3-phenyl-, DL-
CID 209452
2-(4-Fluorophenyl)-2-(piperazin-1-yl)ethan-1-ol
CID 11972041
[(2S,5R)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-2-yl]methanol
CID 127037249
(2S,3S,4S)-2-(4-phenylphenyl)pyrrolidine-3,4-diol;hydrochloride
CID 168270520
(S)-2-benzylamino-3-phenyl-1-propanol
CID 10514267
[(2S,3R,4S)-1-[(4-fluorophenyl)methyl]-4-[(2-methylpropylamino)methyl]-3-phenylazetidin-2-yl]methanol
CID 60182696

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol?
The IUPAC name of (2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol (CID 171359477) is (2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for (2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol?
The canonical SMILES for (2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol is CN[C@@H](CO)c1cccc(-c2cc(CN3CCCC3)ccc2F)c1.
What is the InChIKey of (2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol?
The InChIKey is ZWXCDGLKRLFHEF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-22-20(14-24)17-6-4-5-16(12-17)18-11-15(7-8-19(18)21)13-23-9-2-3-10-23/h4-8,11-12,20,22,24H,2-3,9-10,13-14H2,1H3/t20-/m0/s1.
What are the key properties of (2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol?
(2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol has a molecular weight of 328.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 171359477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).