1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol

C15H23FN2O — CID 112626029

IUPAC1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
SMILESCc1cc(N2CCC(C(C)O)C2)c(C(C)N)cc1F
InChIInChI=1S/C15H23FN2O/c1-9-6-15(13(10(2)17)7-14(9)16)18-5-4-12(8-18)11(3)19/h6-7,10-12,19H,4-5,8,17H2,1-3H3
InChIKeyPAXZVTWMIHXOLE-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.36
Rot. Bonds3

About 1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol

1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol (PubChem CID 112626029) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
PubChem CID112626029
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
SMILESCc1cc(N2CCC(C(C)O)C2)c(C(C)N)cc1F
InChIInChI=1S/C15H23FN2O/c1-9-6-15(13(10(2)17)7-14(9)16)18-5-4-12(8-18)11(3)19/h6-7,10-12,19H,4-5,8,17H2,1-3H3
InChIKeyPAXZVTWMIHXOLE-UHFFFAOYSA-N
XLogP2.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol
CID 114678954
1-[1-[4-fluoro-2-[(1S)-1-hydroxyethyl]-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836529
1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836488
2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol
CID 107227741
(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
CID 102959105
1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol
CID 112624251
1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624306
1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624192
[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781840
(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744273
1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
CID 107933036
3-fluoro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627808

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol (CID 112626029) is 1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol is Cc1cc(N2CCC(C(C)O)C2)c(C(C)N)cc1F.
What is the InChIKey of 1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is PAXZVTWMIHXOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-9-6-15(13(10(2)17)7-14(9)16)18-5-4-12(8-18)11(3)19/h6-7,10-12,19H,4-5,8,17H2,1-3H3.
What are the key properties of 1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112626029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).