[1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol

C16H25FN2O — CID 63060776

IUPAC[1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
SMILESCC(C)CNCc1cc(F)ccc1N1CCCC1CO
InChIInChI=1S/C16H25FN2O/c1-12(2)9-18-10-13-8-14(17)5-6-16(13)19-7-3-4-15(19)11-20/h5-6,8,12,15,18,20H,3-4,7,9-11H2,1-2H3
InChIKeyLSPOKCSOHRDLIE-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.53
Rot. Bonds6

About [1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol

[1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol (PubChem CID 63060776) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is [1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
PubChem CID63060776
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
SMILESCC(C)CNCc1cc(F)ccc1N1CCCC1CO
InChIInChI=1S/C16H25FN2O/c1-12(2)9-18-10-13-8-14(17)5-6-16(13)19-7-3-4-15(19)11-20/h5-6,8,12,15,18,20H,3-4,7,9-11H2,1-2H3
InChIKeyLSPOKCSOHRDLIE-UHFFFAOYSA-N
XLogP2.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63059353
[1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61411386
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635482
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54886079
N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114848665
N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
5-fluoro-2-[2-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 61407533
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059703
1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 55236984
[1-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 114853905
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol
CID 78934575
[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol
CID 62121883

Frequently Asked Questions

What is the IUPAC name of [1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol (CID 63060776) is [1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol is CC(C)CNCc1cc(F)ccc1N1CCCC1CO.
What is the InChIKey of [1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The InChIKey is LSPOKCSOHRDLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)9-18-10-13-8-14(17)5-6-16(13)19-7-3-4-15(19)11-20/h5-6,8,12,15,18,20H,3-4,7,9-11H2,1-2H3.
What are the key properties of [1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
[1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol has a molecular weight of 280.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 63060776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).