[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol

C15H23FN2O — CID 112626609

IUPAC[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
SMILESCC(C)NCc1ccc(N2CCC(CO)C2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(2)17-8-12-3-4-15(14(16)7-12)18-6-5-13(9-18)10-19/h3-4,7,11,13,17,19H,5-6,8-10H2,1-2H3
InChIKeyGCCVFUHYEDQYJP-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.14
Rot. Bonds5

About [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol

[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol (PubChem CID 112626609) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
PubChem CID112626609
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
SMILESCC(C)NCc1ccc(N2CCC(CO)C2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(2)17-8-12-3-4-15(14(16)7-12)18-6-5-13(9-18)10-19/h3-4,7,11,13,17,19H,5-6,8-10H2,1-2H3
InChIKeyGCCVFUHYEDQYJP-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626287
[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
CID 62120166
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626558
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
[1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590500
N-[[3-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]ethanamine
CID 64598197
[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol
CID 43133225
[1-[2,6-difluoro-4-(methylaminomethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626635
[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
CID 64868848
N-[[3-fluoro-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499514
N-[[4-(2-ethylpyrrolidin-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 54885787
[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
CID 112625992

Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol (CID 112626609) is [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol is CC(C)NCc1ccc(N2CCC(CO)C2)c(F)c1.
What is the InChIKey of [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol?
The InChIKey is GCCVFUHYEDQYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(2)17-8-12-3-4-15(14(16)7-12)18-6-5-13(9-18)10-19/h3-4,7,11,13,17,19H,5-6,8-10H2,1-2H3.
What are the key properties of [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol?
[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol has a molecular weight of 266.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112626609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).