3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol

C14H21NO — CID 62977270

IUPAC3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol
SMILESCc1ccc(C)c(CC2(O)CCN(C)C2)c1
InChIInChI=1S/C14H21NO/c1-11-4-5-12(2)13(8-11)9-14(16)6-7-15(3)10-14/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyUDVNDTQHDJDEFR-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.91
Rot. Bonds2

About 3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol

3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol (PubChem CID 62977270) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol
PubChem CID62977270
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol
SMILESCc1ccc(C)c(CC2(O)CCN(C)C2)c1
InChIInChI=1S/C14H21NO/c1-11-4-5-12(2)13(8-11)9-14(16)6-7-15(3)10-14/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyUDVNDTQHDJDEFR-UHFFFAOYSA-N
XLogP1.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 55140625
1-methyl-3-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-3-ol
CID 62977084
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 54958001
8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol
CID 114819189
1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65085641
1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol
CID 171758962
3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65327604
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol
CID 62550581
3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65146298
3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
CID 65146833

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol (CID 62977270) is 3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol is Cc1ccc(C)c(CC2(O)CCN(C)C2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol?
The InChIKey is UDVNDTQHDJDEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-5-12(2)13(8-11)9-14(16)6-7-15(3)10-14/h4-5,8,16H,6-7,9-10H2,1-3H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol?
3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol has a molecular weight of 219.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 62977270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).