1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol

C15H19FN2O — CID 103357972

IUPAC1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccc(F)cc2C#CCN)C1
InChIInChI=1S/C15H19FN2O/c1-15(19)6-8-18(11-15)10-13-4-5-14(16)9-12(13)3-2-7-17/h4-5,9,19H,6-8,10-11,17H2,1H3
InChIKeyHDUTVALAILTJKH-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.09
Rot. Bonds2

About 1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol

1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol (PubChem CID 103357972) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol
PubChem CID103357972
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccc(F)cc2C#CCN)C1
InChIInChI=1S/C15H19FN2O/c1-15(19)6-8-18(11-15)10-13-4-5-14(16)9-12(13)3-2-7-17/h4-5,9,19H,6-8,10-11,17H2,1H3
InChIKeyHDUTVALAILTJKH-UHFFFAOYSA-N
XLogP1.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-methylpyrrolidin-3-ol
CID 103357996
4-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-1-methylpiperazin-2-one
CID 64695787
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
4-fluoro-2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]benzonitrile
CID 115873563
3-[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 107458679
N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine
CID 54968871
4-fluoro-2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzonitrile
CID 80702243
3-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]prop-2-yn-1-amine
CID 64580759
1-[(2-amino-5-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107403847
3-[3-[(3,3-dimethylpiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79706712
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107407691
3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 83046101

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol (CID 103357972) is 1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(Cc2ccc(F)cc2C#CCN)C1.
What is the InChIKey of 1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is HDUTVALAILTJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-15(19)6-8-18(11-15)10-13-4-5-14(16)9-12(13)3-2-7-17/h4-5,9,19H,6-8,10-11,17H2,1H3.
What are the key properties of 1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol?
1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 262.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103357972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).