1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol

C13H19NO — CID 115532407

IUPAC1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1cccc(C)c1CN1CCC(O)C1
InChIInChI=1S/C13H19NO/c1-10-4-3-5-11(2)13(10)9-14-7-6-12(15)8-14/h3-5,12,15H,6-9H2,1-2H3
InChIKeyNDLPYPPHFLWOAQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.87
Rot. Bonds2

About 1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol

1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 115532407) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol
PubChem CID115532407
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1cccc(C)c1CN1CCC(O)C1
InChIInChI=1S/C13H19NO/c1-10-4-3-5-11(2)13(10)9-14-7-6-12(15)8-14/h3-5,12,15H,6-9H2,1-2H3
InChIKeyNDLPYPPHFLWOAQ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine
CID 102959994
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
(3S)-1-[(3-chloro-2-methylphenyl)methyl]pyrrolidin-3-ol
CID 93478443
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
(3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol
CID 24904595
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882959
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
(3S)-1-[(2-hydroxy-4,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 103882967
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate
CID 78997161
1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride
CID 131703576

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol (CID 115532407) is 1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol is Cc1cccc(C)c1CN1CCC(O)C1.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is NDLPYPPHFLWOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-4-3-5-11(2)13(10)9-14-7-6-12(15)8-14/h3-5,12,15H,6-9H2,1-2H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol?
1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 115532407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).