[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol

C15H23FN2O — CID 102781840

IUPAC[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC(C)C2CO)c([C@@H](C)N)cc1F
InChIInChI=1S/C15H23FN2O/c1-9-4-5-18(15(9)8-19)14-6-10(2)13(16)7-12(14)11(3)17/h6-7,9,11,15,19H,4-5,8,17H2,1-3H3/t9?,11-,15?/m1/s1
InChIKeyOZYRVRBHYDFHMV-QMJNDHNRSA-N
MW266.36 g/mol
LogP2.36
Rot. Bonds3

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

[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102781840) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102781840
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC(C)C2CO)c([C@@H](C)N)cc1F
InChIInChI=1S/C15H23FN2O/c1-9-4-5-18(15(9)8-19)14-6-10(2)13(16)7-12(14)11(3)17/h6-7,9,11,15,19H,4-5,8,17H2,1-3H3/t9?,11-,15?/m1/s1
InChIKeyOZYRVRBHYDFHMV-QMJNDHNRSA-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
(1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104874555
(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939710
2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol
CID 107227741
1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626029
[1-(4-amino-2-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777305
(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
CID 102959105
[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781778
[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 114074767
[1-[2-[(1S)-1-aminoethyl]-3-methoxyphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781715
3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol
CID 102863419
[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777435

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol (CID 102781840) is [1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol is Cc1cc(N2CCC(C)C2CO)c([C@@H](C)N)cc1F.
What is the InChIKey of [1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is OZYRVRBHYDFHMV-QMJNDHNRSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-9-4-5-18(15(9)8-19)14-6-10(2)13(16)7-12(14)11(3)17/h6-7,9,11,15,19H,4-5,8,17H2,1-3H3/t9?,11-,15?/m1/s1.
What are the key properties of [1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol 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-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102781840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).