2-(1-pyrrolidin-3-ylpropan-2-yl)phenol

C13H19NO — CID 83908767

IUPAC2-(1-pyrrolidin-3-ylpropan-2-yl)phenol
SMILESCC(CC1CCNC1)c1ccccc1O
InChIInChI=1S/C13H19NO/c1-10(8-11-6-7-14-9-11)12-4-2-3-5-13(12)15/h2-5,10-11,14-15H,6-9H2,1H3
InChIKeyIZTZKSSBORUCKC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.50
Rot. Bonds3

About 2-(1-pyrrolidin-3-ylpropan-2-yl)phenol

2-(1-pyrrolidin-3-ylpropan-2-yl)phenol (PubChem CID 83908767) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(1-pyrrolidin-3-ylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-(1-pyrrolidin-3-ylpropan-2-yl)phenol
PubChem CID83908767
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(1-pyrrolidin-3-ylpropan-2-yl)phenol
SMILESCC(CC1CCNC1)c1ccccc1O
InChIInChI=1S/C13H19NO/c1-10(8-11-6-7-14-9-11)12-4-2-3-5-13(12)15/h2-5,10-11,14-15H,6-9H2,1H3
InChIKeyIZTZKSSBORUCKC-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
3-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908768
3-[2-(4-methylphenyl)propyl]pyrrolidine
CID 83908593
4-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907315
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
3-(2-phenoxypropyl)pyrrolidine
CID 105458119
3-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907317
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
2-(1-piperidin-4-ylethyl)phenol
CID 83908775
1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951632
1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951614
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
CID 58422845

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-3-ylpropan-2-yl)phenol?
The IUPAC name of 2-(1-pyrrolidin-3-ylpropan-2-yl)phenol (CID 83908767) is 2-(1-pyrrolidin-3-ylpropan-2-yl)phenol.
What is the SMILES notation for 2-(1-pyrrolidin-3-ylpropan-2-yl)phenol?
The canonical SMILES for 2-(1-pyrrolidin-3-ylpropan-2-yl)phenol is CC(CC1CCNC1)c1ccccc1O.
What is the InChIKey of 2-(1-pyrrolidin-3-ylpropan-2-yl)phenol?
The InChIKey is IZTZKSSBORUCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(8-11-6-7-14-9-11)12-4-2-3-5-13(12)15/h2-5,10-11,14-15H,6-9H2,1H3.
What are the key properties of 2-(1-pyrrolidin-3-ylpropan-2-yl)phenol?
2-(1-pyrrolidin-3-ylpropan-2-yl)phenol has a molecular weight of 205.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-3-ylpropan-2-yl)phenol is sourced from PubChem (CID 83908767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).