1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol

C18H29FN2O — CID 120900668

IUPAC1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol
SMILESCC(C)CN(CC(O)c1ccc(F)cc1)CC1(C)CCNC1
InChIInChI=1S/C18H29FN2O/c1-14(2)10-21(13-18(3)8-9-20-12-18)11-17(22)15-4-6-16(19)7-5-15/h4-7,14,17,20,22H,8-13H2,1-3H3
InChIKeyYMLYGPXHGVQMBR-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.82
Rot. Bonds7

About 1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol

1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol (PubChem CID 120900668) has the molecular formula C18H29FN2O and a molecular weight of 308.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol
PubChem CID120900668
Molecular FormulaC18H29FN2O
Molecular Weight308.44 g/mol
Exact Mass308.23
IUPAC Name1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol
SMILESCC(C)CN(CC(O)c1ccc(F)cc1)CC1(C)CCNC1
InChIInChI=1S/C18H29FN2O/c1-14(2)10-21(13-18(3)8-9-20-12-18)11-17(22)15-4-6-16(19)7-5-15/h4-7,14,17,20,22H,8-13H2,1-3H3
InChIKeyYMLYGPXHGVQMBR-UHFFFAOYSA-N
XLogP2.82
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol (CID 120900668) is 1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol is CC(C)CN(CC(O)c1ccc(F)cc1)CC1(C)CCNC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol?
The InChIKey is YMLYGPXHGVQMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O/c1-14(2)10-21(13-18(3)8-9-20-12-18)11-17(22)15-4-6-16(19)7-5-15/h4-7,14,17,20,22H,8-13H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol?
1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol has a molecular weight of 308.44 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 120900668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).