1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine

C15H24N2 — CID 117017096

IUPAC1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
SMILESCNC1CCN(c2cc(C)ccc2C)C1(C)C
InChIInChI=1S/C15H24N2/c1-11-6-7-12(2)13(10-11)17-9-8-14(16-5)15(17,3)4/h6-7,10,14,16H,8-9H2,1-5H3
InChIKeyBYZRMQNACGYBRY-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.88
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine

1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine (PubChem CID 117017096) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
PubChem CID117017096
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
SMILESCNC1CCN(c2cc(C)ccc2C)C1(C)C
InChIInChI=1S/C15H24N2/c1-11-6-7-12(2)13(10-11)17-9-8-14(16-5)15(17,3)4/h6-7,10,14,16H,8-9H2,1-5H3
InChIKeyBYZRMQNACGYBRY-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine
CID 117019321
1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017121
[1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine
CID 117020618
[1-(2,5-dimethylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012043
1-(2-methoxy-5-methylphenyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017225
1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine
CID 117021094
1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol
CID 117019064
1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020196
methyl 1-(2-bromo-4-methylphenyl)-2,2-dimethylpyrrolidine-3-carboxylate
CID 117022984
CID 140682197
CID 140682197
3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine
CID 81417184
N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine
CID 117025339

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine (CID 117017096) is 1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine is CNC1CCN(c2cc(C)ccc2C)C1(C)C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The InChIKey is BYZRMQNACGYBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-6-7-12(2)13(10-11)17-9-8-14(16-5)15(17,3)4/h6-7,10,14,16H,8-9H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 117017096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).