3-(1-pyrrolidin-1-ylethyl)phenol

C12H17NO — CID 13017918

IUPAC3-(1-pyrrolidin-1-ylethyl)phenol
SMILESCC(c1cccc(O)c1)N1CCCC1
InChIInChI=1S/C12H17NO/c1-10(13-7-2-3-8-13)11-5-4-6-12(14)9-11/h4-6,9-10,14H,2-3,7-8H2,1H3
InChIKeyBAGWHXCGUQOUFE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.55
Rot. Bonds2

About 3-(1-pyrrolidin-1-ylethyl)phenol

3-(1-pyrrolidin-1-ylethyl)phenol (PubChem CID 13017918) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(1-pyrrolidin-1-ylethyl)phenol.

Molecular Properties

Compound Name3-(1-pyrrolidin-1-ylethyl)phenol
PubChem CID13017918
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(1-pyrrolidin-1-ylethyl)phenol
SMILESCC(c1cccc(O)c1)N1CCCC1
InChIInChI=1S/C12H17NO/c1-10(13-7-2-3-8-13)11-5-4-6-12(14)9-11/h4-6,9-10,14H,2-3,7-8H2,1H3
InChIKeyBAGWHXCGUQOUFE-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-cyclopentylpiperazin-1-yl)ethyl]phenol
CID 82979909
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
(2R)-2-(azepan-1-yl)-2-(3-hydroxyphenyl)acetonitrile
CID 9179426
1-[1-(3-nitrophenyl)ethyl]azocane
CID 55409923
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
3-[1-(1,4-oxazepan-4-yl)ethyl]aniline
CID 62987222
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 95785638
2-(methylamino)-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]benzoic acid
CID 95213267
2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
CID 97438053

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrrolidin-1-ylethyl)phenol?
The IUPAC name of 3-(1-pyrrolidin-1-ylethyl)phenol (CID 13017918) is 3-(1-pyrrolidin-1-ylethyl)phenol.
What is the SMILES notation for 3-(1-pyrrolidin-1-ylethyl)phenol?
The canonical SMILES for 3-(1-pyrrolidin-1-ylethyl)phenol is CC(c1cccc(O)c1)N1CCCC1.
What is the InChIKey of 3-(1-pyrrolidin-1-ylethyl)phenol?
The InChIKey is BAGWHXCGUQOUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(13-7-2-3-8-13)11-5-4-6-12(14)9-11/h4-6,9-10,14H,2-3,7-8H2,1H3.
What are the key properties of 3-(1-pyrrolidin-1-ylethyl)phenol?
3-(1-pyrrolidin-1-ylethyl)phenol has a molecular weight of 191.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrrolidin-1-ylethyl)phenol is sourced from PubChem (CID 13017918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).