3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol

C13H19NO — CID 82983068

IUPAC3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
SMILESCC1(C)CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C13H19NO/c1-13(2)6-7-14(10-13)9-11-4-3-5-12(15)8-11/h3-5,8,15H,6-7,9-10H2,1-2H3
InChIKeyUWEXFBUEUFUTHZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.62
Rot. Bonds2

About 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol

3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol (PubChem CID 82983068) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
PubChem CID82983068
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
SMILESCC1(C)CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C13H19NO/c1-13(2)6-7-14(10-13)9-11-4-3-5-12(15)8-11/h3-5,8,15H,6-7,9-10H2,1-2H3
InChIKeyUWEXFBUEUFUTHZ-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-hydroxyphenyl)methyl]-4-methylpiperidine-4-carbothioamide
CID 107161649
(3R)-8-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95712072
1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 63457847
4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one
CID 128556874
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylphenol
CID 112553679
(3R)-2-acetyl-8-[(3-hydroxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 96577027
3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122029468
(3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95886223
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
(1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56915599
N-ethyl-N'-[(3-hydroxyphenyl)methyl]-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111996239

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol (CID 82983068) is 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol is CC1(C)CCN(Cc2cccc(O)c2)C1.
What is the InChIKey of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is UWEXFBUEUFUTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)6-7-14(10-13)9-11-4-3-5-12(15)8-11/h3-5,8,15H,6-7,9-10H2,1-2H3.
What are the key properties of 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol?
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 82983068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).