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

C15H23FN2O — CID 112626558

IUPAC[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
SMILESCC(C)NCc1cc(F)ccc1N1CCC(CO)C1
InChIInChI=1S/C15H23FN2O/c1-11(2)17-8-13-7-14(16)3-4-15(13)18-6-5-12(9-18)10-19/h3-4,7,11-12,17,19H,5-6,8-10H2,1-2H3
InChIKeyPTQNBDYDXDRPSK-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.14
Rot. Bonds5

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

[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol (PubChem CID 112626558) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
PubChem CID112626558
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
SMILESCC(C)NCc1cc(F)ccc1N1CCC(CO)C1
InChIInChI=1S/C15H23FN2O/c1-11(2)17-8-13-7-14(16)3-4-15(13)18-6-5-12(9-18)10-19/h3-4,7,11-12,17,19H,5-6,8-10H2,1-2H3
InChIKeyPTQNBDYDXDRPSK-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

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Related Compounds

N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43584751
[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626609
[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
CID 112625992
1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626307
1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 113418178
N-[[2-(3,5-dimethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313806
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635482
2-[1-[2-[(tert-butylamino)methyl]-4-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 114798666
5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 112626066
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol
CID 81103994
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-2-amine
CID 114851794
N-[[5-fluoro-2-(1,4-thiazepan-4-yl)phenyl]methyl]propan-2-amine
CID 61419095

Frequently Asked Questions

What is the IUPAC name of [1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol (CID 112626558) is [1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol is CC(C)NCc1cc(F)ccc1N1CCC(CO)C1.
What is the InChIKey of [1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol?
The InChIKey is PTQNBDYDXDRPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(2)17-8-13-7-14(16)3-4-15(13)18-6-5-12(9-18)10-19/h3-4,7,11-12,17,19H,5-6,8-10H2,1-2H3.
What are the key properties of [1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol?
[1-[4-fluoro-2-[(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-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112626558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).