[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C14H20FNO — CID 102788246

IUPAC[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCc1cc(F)ccc1CN1CCC(C)C1CO
InChIInChI=1S/C14H20FNO/c1-10-5-6-16(14(10)9-17)8-12-3-4-13(15)7-11(12)2/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyQKUDOQPGYORHPH-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.34
Rot. Bonds3

About [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788246) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788246
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCc1cc(F)ccc1CN1CCC(C)C1CO
InChIInChI=1S/C14H20FNO/c1-10-5-6-16(14(10)9-17)8-12-3-4-13(15)7-11(12)2/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyQKUDOQPGYORHPH-UHFFFAOYSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787791
3-[3-fluoro-4-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 102789146
3-bromo-4-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]benzoic acid
CID 102782191
[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 102788811
[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 102788959
1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056522
[1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777868
N'-hydroxy-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 102781413
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102787690
2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114350545
(3R,4S)-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-3,4-diol
CID 103887198

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102788246) is [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is Cc1cc(F)ccc1CN1CCC(C)C1CO.
What is the InChIKey of [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is QKUDOQPGYORHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-5-6-16(14(10)9-17)8-12-3-4-13(15)7-11(12)2/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3.
What are the key properties of [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 237.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).