3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol

C14H21NO — CID 53416012

IUPAC3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol
SMILESCC1CCCN1CC(CO)c1ccccc1
InChIInChI=1S/C14H21NO/c1-12-6-5-9-15(12)10-14(11-16)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3
InChIKeyAYVQIOHOTIJXIA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.25
Rot. Bonds4

About 3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol

3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol (PubChem CID 53416012) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol
PubChem CID53416012
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol
SMILESCC1CCCN1CC(CO)c1ccccc1
InChIInChI=1S/C14H21NO/c1-12-6-5-9-15(12)10-14(11-16)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3
InChIKeyAYVQIOHOTIJXIA-UHFFFAOYSA-N
XLogP2.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol?
The IUPAC name of 3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol (CID 53416012) is 3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol is CC1CCCN1CC(CO)c1ccccc1.
What is the InChIKey of 3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol?
The InChIKey is AYVQIOHOTIJXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-6-5-9-15(12)10-14(11-16)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3.
What are the key properties of 3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol?
3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 53416012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).