[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol

C15H23FN2O — CID 79319283

IUPAC[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
SMILESCCN1CCCC1CN(C)c1ccc(CO)cc1F
InChIInChI=1S/C15H23FN2O/c1-3-18-8-4-5-13(18)10-17(2)15-7-6-12(11-19)9-14(15)16/h6-7,9,13,19H,3-5,8,10-11H2,1-2H3
InChIKeyWTXYSWIAAYEXLY-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.24
Rot. Bonds5

About [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol

[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol (PubChem CID 79319283) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
PubChem CID79319283
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
SMILESCCN1CCCC1CN(C)c1ccc(CO)cc1F
InChIInChI=1S/C15H23FN2O/c1-3-18-8-4-5-13(18)10-17(2)15-7-6-12(11-19)9-14(15)16/h6-7,9,13,19H,3-5,8,10-11H2,1-2H3
InChIKeyWTXYSWIAAYEXLY-UHFFFAOYSA-N
XLogP2.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
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

4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylaniline
CID 79318756
1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 79318550
[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline
CID 79319977
[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273796
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide
CID 79309783
4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318214
[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol
CID 62887739
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-6-fluorobenzonitrile
CID 79478979
2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79304544
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309720
1-[5-bromo-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanone
CID 82966904

Frequently Asked Questions

What is the IUPAC name of [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol?
The IUPAC name of [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol (CID 79319283) is [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol is CCN1CCCC1CN(C)c1ccc(CO)cc1F.
What is the InChIKey of [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol?
The InChIKey is WTXYSWIAAYEXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-18-8-4-5-13(18)10-17(2)15-7-6-12(11-19)9-14(15)16/h6-7,9,13,19H,3-5,8,10-11H2,1-2H3.
What are the key properties of [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol?
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol has a molecular weight of 266.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol is sourced from PubChem (CID 79319283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).