3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol

C13H19NO — CID 68619963

IUPAC3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol
SMILESCc1cc(O)cc(C)c1CN1CCCC1
InChIInChI=1S/C13H19NO/c1-10-7-12(15)8-11(2)13(10)9-14-5-3-4-6-14/h7-8,15H,3-6,9H2,1-2H3
InChIKeyCIJTYNZZHKGLLQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.60
Rot. Bonds2

About 3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol

3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol (PubChem CID 68619963) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol
PubChem CID68619963
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol
SMILESCc1cc(O)cc(C)c1CN1CCCC1
InChIInChI=1S/C13H19NO/c1-10-7-12(15)8-11(2)13(10)9-14-5-3-4-6-14/h7-8,15H,3-6,9H2,1-2H3
InChIKeyCIJTYNZZHKGLLQ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dimethylphenol
CID 45486668
1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine
CID 166534704
3-methyl-5-(pyrrolidin-1-ylmethyl)benzene-1,2-diol
CID 91439677
2-chloro-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117390249
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol
CID 113343970
4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole
CID 134382573
3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 170764195
3,5-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 91299559
1-[2,4,6-trimethyl-3-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 35316912
1-[(3,4,5-trimethylphenyl)methyl]piperidine
CID 91162015
1-[(4-chloro-2,6-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 122035800
1-[3-[(4-acetyl-1,4-diazepan-1-yl)methyl]-2,4,6-trimethylphenyl]ethanone
CID 30760359

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol?
The IUPAC name of 3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol (CID 68619963) is 3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol.
What is the SMILES notation for 3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol?
The canonical SMILES for 3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol is Cc1cc(O)cc(C)c1CN1CCCC1.
What is the InChIKey of 3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol?
The InChIKey is CIJTYNZZHKGLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-7-12(15)8-11(2)13(10)9-14-5-3-4-6-14/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol?
3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol has a molecular weight of 205.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol is sourced from PubChem (CID 68619963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).