1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol

C14H21NO — CID 117118195

IUPAC1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccccc1CC1CCCN1
InChIInChI=1S/C14H21NO/c1-11(16)9-12-5-2-3-6-13(12)10-14-7-4-8-15-14/h2-3,5-6,11,14-16H,4,7-10H2,1H3
InChIKeyBGVAKDSPHJYZOA-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol

1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol (PubChem CID 117118195) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
PubChem CID117118195
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccccc1CC1CCCN1
InChIInChI=1S/C14H21NO/c1-11(16)9-12-5-2-3-6-13(12)10-14-7-4-8-15-14/h2-3,5-6,11,14-16H,4,7-10H2,1H3
InChIKeyBGVAKDSPHJYZOA-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[(2-pentan-3-ylphenyl)methyl]piperidine
CID 117366332
2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 69169822
2-(piperidin-2-ylmethyl)aniline
CID 84662844
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine
CID 117333037
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol (CID 117118195) is 1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol is CC(O)Cc1ccccc1CC1CCCN1.
What is the InChIKey of 1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol?
The InChIKey is BGVAKDSPHJYZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(16)9-12-5-2-3-6-13(12)10-14-7-4-8-15-14/h2-3,5-6,11,14-16H,4,7-10H2,1H3.
What are the key properties of 1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol?
1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117118195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).