[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol

C14H21NO — CID 117017725

IUPAC[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cccc(N2CCC(CO)C2(C)C)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-13(9-11)15-8-7-12(10-16)14(15,2)3/h4-6,9,12,16H,7-8,10H2,1-3H3
InChIKeyUNFXJGUWWHPPPX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds2

About [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol

[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol (PubChem CID 117017725) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol
PubChem CID117017725
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cccc(N2CCC(CO)C2(C)C)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-13(9-11)15-8-7-12(10-16)14(15,2)3/h4-6,9,12,16H,7-8,10H2,1-3H3
InChIKeyUNFXJGUWWHPPPX-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-dimethyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol
CID 117017726
[1-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]methanol
CID 117017752
2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid
CID 117019440
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
2-[1-(3-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017376
[1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
CID 117019807
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016836
[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020724
[6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine
CID 117021515
2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol
CID 117017428
4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol
CID 117025087

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol (CID 117017725) is [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol is Cc1cccc(N2CCC(CO)C2(C)C)c1.
What is the InChIKey of [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is UNFXJGUWWHPPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-4-6-13(9-11)15-8-7-12(10-16)14(15,2)3/h4-6,9,12,16H,7-8,10H2,1-3H3.
What are the key properties of [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol?
[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117017725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).