1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine

C17H28N2 — CID 83981873

IUPAC1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)CC1CCN(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H28N2/c1-5-18-15(4)11-16-6-7-19(12-16)17-9-13(2)8-14(3)10-17/h8-10,15-16,18H,5-7,11-12H2,1-4H3
InChIKeyYMUMKLOJVYTUJN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds5

About 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine

1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine (PubChem CID 83981873) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine
PubChem CID83981873
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)CC1CCN(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H28N2/c1-5-18-15(4)11-16-6-7-19(12-16)17-9-13(2)8-14(3)10-17/h8-10,15-16,18H,5-7,11-12H2,1-4H3
InChIKeyYMUMKLOJVYTUJN-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
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]-N-ethylpropan-2-amine?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine (CID 83981873) is 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine is CCNC(C)CC1CCN(c2cc(C)cc(C)c2)C1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine?
The InChIKey is YMUMKLOJVYTUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-18-15(4)11-16-6-7-19(12-16)17-9-13(2)8-14(3)10-17/h8-10,15-16,18H,5-7,11-12H2,1-4H3.
What are the key properties of 1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine?
1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 5 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]-N-ethylpropan-2-amine is sourced from PubChem (CID 83981873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).