2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol

C19H23NO — CID 82957556

IUPAC2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
SMILESCCC(c1ccccc1O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H23NO/c1-2-18(17-10-6-7-11-19(17)21)20-13-12-16(14-20)15-8-4-3-5-9-15/h3-11,16,18,21H,2,12-14H2,1H3
InChIKeyKLIZDOXMAYSZQI-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.33
Rot. Bonds4

About 2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol

2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol (PubChem CID 82957556) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol.

Molecular Properties

Compound Name2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
PubChem CID82957556
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
SMILESCCC(c1ccccc1O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H23NO/c1-2-18(17-10-6-7-11-19(17)21)20-13-12-16(14-20)15-8-4-3-5-9-15/h3-11,16,18,21H,2,12-14H2,1H3
InChIKeyKLIZDOXMAYSZQI-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
2-[1-(3-methylpiperazin-1-yl)propyl]phenol
CID 65417239
2-[1-[4-(methoxymethyl)piperidin-1-yl]propyl]phenol
CID 82980997
2-[1-(3-aminoazetidin-1-yl)propyl]phenol
CID 65244387
2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol
CID 80551485
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
CID 62133000
2-[1-[2-(1-aminoethyl)morpholin-4-yl]propyl]phenol
CID 115314981
methyl (2S)-2-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 52534456
3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
N-methyl-2-(3-phenylpyrrolidin-1-yl)pentan-3-amine
CID 62132289
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol?
The IUPAC name of 2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol (CID 82957556) is 2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol.
What is the SMILES notation for 2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol?
The canonical SMILES for 2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol is CCC(c1ccccc1O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol?
The InChIKey is KLIZDOXMAYSZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-18(17-10-6-7-11-19(17)21)20-13-12-16(14-20)15-8-4-3-5-9-15/h3-11,16,18,21H,2,12-14H2,1H3.
What are the key properties of 2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol?
2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol is sourced from PubChem (CID 82957556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).