4-(5-propylpyrrolidin-2-yl)phenol

C13H19NO — CID 143549456

IUPAC4-(5-propylpyrrolidin-2-yl)phenol
SMILESCCCC1CCC(c2ccc(O)cc2)N1
InChIInChI=1S/C13H19NO/c1-2-3-11-6-9-13(14-11)10-4-7-12(15)8-5-10/h4-5,7-8,11,13-15H,2-3,6,9H2,1H3
InChIKeyZRQNRKNKVGQOLR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.99
Rot. Bonds3

About 4-(5-propylpyrrolidin-2-yl)phenol

4-(5-propylpyrrolidin-2-yl)phenol (PubChem CID 143549456) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(5-propylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name4-(5-propylpyrrolidin-2-yl)phenol
PubChem CID143549456
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(5-propylpyrrolidin-2-yl)phenol
SMILESCCCC1CCC(c2ccc(O)cc2)N1
InChIInChI=1S/C13H19NO/c1-2-3-11-6-9-13(14-11)10-4-7-12(15)8-5-10/h4-5,7-8,11,13-15H,2-3,6,9H2,1H3
InChIKeyZRQNRKNKVGQOLR-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyltyramine
CID 9727
(+-)-Pholedrine
CID 4655
4-((Dimethylamino)methyl)phenol
CID 32895
LY 231617
CID 3968
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-(4-hydroxyphenyl)-, (2R,3R,4S,5S)-
CID 10036605
2-[(Butylamino)methyl]phenol
CID 487839
4-[(2S)-2-(methylamino)propyl]phenol
CID 158815
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
GNF-Pf-5310
CID 241056
4-((Methylamino)methyl)phenol
CID 13104924
4-[2-(3-Phenyl-propylamino)-propyl]-phenol
CID 192481

Frequently Asked Questions

What is the IUPAC name of 4-(5-propylpyrrolidin-2-yl)phenol?
The IUPAC name of 4-(5-propylpyrrolidin-2-yl)phenol (CID 143549456) is 4-(5-propylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 4-(5-propylpyrrolidin-2-yl)phenol?
The canonical SMILES for 4-(5-propylpyrrolidin-2-yl)phenol is CCCC1CCC(c2ccc(O)cc2)N1.
What is the InChIKey of 4-(5-propylpyrrolidin-2-yl)phenol?
The InChIKey is ZRQNRKNKVGQOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-11-6-9-13(14-11)10-4-7-12(15)8-5-10/h4-5,7-8,11,13-15H,2-3,6,9H2,1H3.
What are the key properties of 4-(5-propylpyrrolidin-2-yl)phenol?
4-(5-propylpyrrolidin-2-yl)phenol has a molecular weight of 205.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 143549456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).