3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol

C13H20N2O — CID 82980094

IUPAC3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
SMILESCN(C)C1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C13H20N2O/c1-14(2)12-6-7-15(10-12)9-11-4-3-5-13(16)8-11/h3-5,8,12,16H,6-7,9-10H2,1-2H3
InChIKeyUQXYDPWRKDUEPK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.53
Rot. Bonds3

About 3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol

3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol (PubChem CID 82980094) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
PubChem CID82980094
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
SMILESCN(C)C1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C13H20N2O/c1-14(2)12-6-7-15(10-12)9-11-4-3-5-13(16)8-11/h3-5,8,12,16H,6-7,9-10H2,1-2H3
InChIKeyUQXYDPWRKDUEPK-UHFFFAOYSA-N
XLogP1.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
3-[(3-chloro-4-methylpiperidin-1-yl)methyl]phenol
CID 102960125
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 99959391
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]phenol
CID 114800587
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63532635
3-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]methyl]phenol
CID 51635899
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
3-[3-[[3-(dimethylamino)piperidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 77109655
3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol
CID 114499438

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol (CID 82980094) is 3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol is CN(C)C1CCN(Cc2cccc(O)c2)C1.
What is the InChIKey of 3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol?
The InChIKey is UQXYDPWRKDUEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14(2)12-6-7-15(10-12)9-11-4-3-5-13(16)8-11/h3-5,8,12,16H,6-7,9-10H2,1-2H3.
What are the key properties of 3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol?
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol has a molecular weight of 220.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 82980094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).