3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol

C14H22N2O — CID 82979279

IUPAC3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
SMILESCN(C)CC1CCCN1Cc1cccc(O)c1
InChIInChI=1S/C14H22N2O/c1-15(2)11-13-6-4-8-16(13)10-12-5-3-7-14(17)9-12/h3,5,7,9,13,17H,4,6,8,10-11H2,1-2H3
InChIKeyKFNNSBDJSJUTJP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.92
Rot. Bonds4

About 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol

3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol (PubChem CID 82979279) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
PubChem CID82979279
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
SMILESCN(C)CC1CCCN1Cc1cccc(O)c1
InChIInChI=1S/C14H22N2O/c1-15(2)11-13-6-4-8-16(13)10-12-5-3-7-14(17)9-12/h3,5,7,9,13,17H,4,6,8,10-11H2,1-2H3
InChIKeyKFNNSBDJSJUTJP-UHFFFAOYSA-N
XLogP1.92
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 62888648
2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979557
N-[(1-benzylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride
CID 82379734
6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridin-3-ol
CID 82980192
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975847
3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 112734019
1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 65054111
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol (CID 82979279) is 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol is CN(C)CC1CCCN1Cc1cccc(O)c1.
What is the InChIKey of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol?
The InChIKey is KFNNSBDJSJUTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15(2)11-13-6-4-8-16(13)10-12-5-3-7-14(17)9-12/h3,5,7,9,13,17H,4,6,8,10-11H2,1-2H3.
What are the key properties of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol?
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 82979279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).