1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol

C13H18FNO — CID 82287159

IUPAC1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
SMILESCc1cc(C(C)(O)C2CCCN2)ccc1F
InChIInChI=1S/C13H18FNO/c1-9-8-10(5-6-11(9)14)13(2,16)12-4-3-7-15-12/h5-6,8,12,15-16H,3-4,7H2,1-2H3
InChIKeyQDJXGJWAUQDLKX-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.09
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol

1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol (PubChem CID 82287159) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
PubChem CID82287159
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
SMILESCc1cc(C(C)(O)C2CCCN2)ccc1F
InChIInChI=1S/C13H18FNO/c1-9-8-10(5-6-11(9)14)13(2,16)12-4-3-7-15-12/h5-6,8,12,15-16H,3-4,7H2,1-2H3
InChIKeyQDJXGJWAUQDLKX-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82291205
1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141493
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 45357010
3-(1-hydroxy-1-pyrrolidin-2-ylethyl)benzonitrile
CID 115481382
4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
CID 83075523
1-(furan-3-yl)-1-pyrrolidin-2-ylethanol
CID 115467228
1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 68769138
bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 6544419
bis(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 14813972
1-[(2S)-pyrrolidin-2-yl]-1-(2,4,6-tritert-butylphenyl)ethanol
CID 138485654
1-(4-butoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 112512823

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol (CID 82287159) is 1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol is Cc1cc(C(C)(O)C2CCCN2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol?
The InChIKey is QDJXGJWAUQDLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-8-10(5-6-11(9)14)13(2,16)12-4-3-7-15-12/h5-6,8,12,15-16H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol?
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol has a molecular weight of 223.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 82287159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).