5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine

C15H24N2O — CID 117018146

IUPAC5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine
SMILESCC(C)Oc1ccccc1N1CC(N)CC1(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)18-14-8-6-5-7-13(14)17-10-12(16)9-15(17,3)4/h5-8,11-12H,9-10,16H2,1-4H3
InChIKeyMTQQGTXPOQIWCE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.79
Rot. Bonds3

About 5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine

5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine (PubChem CID 117018146) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine
PubChem CID117018146
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine
SMILESCC(C)Oc1ccccc1N1CC(N)CC1(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)18-14-8-6-5-7-13(14)17-10-12(16)9-15(17,3)4/h5-8,11-12H,9-10,16H2,1-4H3
InChIKeyMTQQGTXPOQIWCE-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yloxyphenyl)azetidin-3-amine
CID 117002832
1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018127
1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018125
1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018123
2,2-dimethyl-1-(2-methylphenyl)piperidin-4-amine
CID 117020100
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 117008187
1-(2-chlorophenyl)-2,2-dimethylpiperidin-4-amine
CID 117020121
3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine
CID 117007629
1-(2-chlorophenyl)-6,6-dimethylpiperidin-3-amine
CID 117021020
1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017964
[1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine
CID 117021543
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline
CID 104957818

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine?
The IUPAC name of 5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine (CID 117018146) is 5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for 5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine is CC(C)Oc1ccccc1N1CC(N)CC1(C)C.
What is the InChIKey of 5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine?
The InChIKey is MTQQGTXPOQIWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)18-14-8-6-5-7-13(14)17-10-12(16)9-15(17,3)4/h5-8,11-12H,9-10,16H2,1-4H3.
What are the key properties of 5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine?
5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 117018146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).