3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol

C16H25NO — CID 83928012

IUPAC3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCc1ccc(C(C(C)CO)N2CCCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-6-7-15(13(2)10-12)16(14(3)11-18)17-8-4-5-9-17/h6-7,10,14,16,18H,4-5,8-9,11H2,1-3H3
InChIKeyZMIJABKMAYIZAL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.07
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol

3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83928012) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83928012
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCc1ccc(C(C(C)CO)N2CCCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-6-7-15(13(2)10-12)16(14(3)11-18)17-8-4-5-9-17/h6-7,10,14,16,18H,4-5,8-9,11H2,1-3H3
InChIKeyZMIJABKMAYIZAL-UHFFFAOYSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83940835
N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 61011128
(2S)-2-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183158
1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 171282246
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
N-[1-(2,4-dimethylphenyl)ethyl]piperidin-1-amine
CID 83007636
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
CID 116942340
(3S)-3-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 95459507
2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494712
2-(2,4-dimethylphenyl)-2-hydroxy-1-piperidin-1-ylethanone
CID 82130939
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 171323393

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol (CID 83928012) is 3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol is Cc1ccc(C(C(C)CO)N2CCCC2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is ZMIJABKMAYIZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-7-15(13(2)10-12)16(14(3)11-18)17-8-4-5-9-17/h6-7,10,14,16,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83928012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).