[(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol

C19H29FN2O — CID 28955646

IUPAC[(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1[C@H](CO)C[C@H](CNCC2CCCC2)[C@@H]1c1ccccc1F
InChIInChI=1S/C19H29FN2O/c1-22-16(13-23)10-15(12-21-11-14-6-2-3-7-14)19(22)17-8-4-5-9-18(17)20/h4-5,8-9,14-16,19,21,23H,2-3,6-7,10-13H2,1H3/t15-,16+,19-/m1/s1
InChIKeyITJOUKHNMHXZSZ-JTDSTZFVSA-N
MW320.45 g/mol
LogP2.96
Rot. Bonds6

About [(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol

[(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 28955646) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is [(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol
PubChem CID28955646
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name[(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1[C@H](CO)C[C@H](CNCC2CCCC2)[C@@H]1c1ccccc1F
InChIInChI=1S/C19H29FN2O/c1-22-16(13-23)10-15(12-21-11-14-6-2-3-7-14)19(22)17-8-4-5-9-18(17)20/h4-5,8-9,14-16,19,21,23H,2-3,6-7,10-13H2,1H3/t15-,16+,19-/m1/s1
InChIKeyITJOUKHNMHXZSZ-JTDSTZFVSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol 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 [(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol (CID 28955646) is [(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol is CN1[C@H](CO)C[C@H](CNCC2CCCC2)[C@@H]1c1ccccc1F.
What is the InChIKey of [(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is ITJOUKHNMHXZSZ-JTDSTZFVSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-22-16(13-23)10-15(12-21-11-14-6-2-3-7-14)19(22)17-8-4-5-9-18(17)20/h4-5,8-9,14-16,19,21,23H,2-3,6-7,10-13H2,1H3/t15-,16+,19-/m1/s1.
What are the key properties of [(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol?
[(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 320.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-4-[(cyclopentylmethylamino)methyl]-5-(2-fluorophenyl)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 28955646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).