1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine

C14H22N2 — CID 83981845

IUPAC1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine
SMILESCc1cc(C)cc(N2CCC(C(C)N)C2)c1
InChIInChI=1S/C14H22N2/c1-10-6-11(2)8-14(7-10)16-5-4-13(9-16)12(3)15/h6-8,12-13H,4-5,9,15H2,1-3H3
InChIKeyYKAAFLPASSVGPZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.48
Rot. Bonds2

About 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine

1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine (PubChem CID 83981845) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine
PubChem CID83981845
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine
SMILESCc1cc(C)cc(N2CCC(C(C)N)C2)c1
InChIInChI=1S/C14H22N2/c1-10-6-11(2)8-14(7-10)16-5-4-13(9-16)12(3)15/h6-8,12-13H,4-5,9,15H2,1-3H3
InChIKeyYKAAFLPASSVGPZ-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine (CID 83981845) is 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine is Cc1cc(C)cc(N2CCC(C(C)N)C2)c1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is YKAAFLPASSVGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-6-11(2)8-14(7-10)16-5-4-13(9-16)12(3)15/h6-8,12-13H,4-5,9,15H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine?
1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 83981845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).