(1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol

C16H25FN2O — CID 81475263

IUPAC(1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(N2CC(C)C(N(C)C)C2)c([C@@H](C)O)cc1F
InChIInChI=1S/C16H25FN2O/c1-10-6-15(13(12(3)20)7-14(10)17)19-8-11(2)16(9-19)18(4)5/h6-7,11-12,16,20H,8-9H2,1-5H3/t11?,12-,16?/m1/s1
InChIKeyMLGFXZJWMOIZAJ-BWBHSNQOSA-N
MW280.39 g/mol
LogP2.57
Rot. Bonds3

About (1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol

(1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol (PubChem CID 81475263) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is (1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol
PubChem CID81475263
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name(1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(N2CC(C)C(N(C)C)C2)c([C@@H](C)O)cc1F
InChIInChI=1S/C16H25FN2O/c1-10-6-15(13(12(3)20)7-14(10)17)19-8-11(2)16(9-19)18(4)5/h6-7,11-12,16,20H,8-9H2,1-5H3/t11?,12-,16?/m1/s1
InChIKeyMLGFXZJWMOIZAJ-BWBHSNQOSA-N
XLogP2.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol (CID 81475263) is (1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol is Cc1cc(N2CC(C)C(N(C)C)C2)c([C@@H](C)O)cc1F.
What is the InChIKey of (1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol?
The InChIKey is MLGFXZJWMOIZAJ-BWBHSNQOSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-10-6-15(13(12(3)20)7-14(10)17)19-8-11(2)16(9-19)18(4)5/h6-7,11-12,16,20H,8-9H2,1-5H3/t11?,12-,16?/m1/s1.
What are the key properties of (1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol?
(1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol has a molecular weight of 280.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol is sourced from PubChem (CID 81475263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).