2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine

C17H28N2 — CID 79188487

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)N2CC(C)C(C)C2)cc1
InChIInChI=1S/C17H28N2/c1-12(2)15-5-7-16(8-6-15)17(9-18)19-10-13(3)14(4)11-19/h5-8,12-14,17H,9-11,18H2,1-4H3
InChIKeyNUAYNKUHWKNVJP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.40
Rot. Bonds4

About 2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 79188487) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID79188487
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)N2CC(C)C(C)C2)cc1
InChIInChI=1S/C17H28N2/c1-12(2)15-5-7-16(8-6-15)17(9-18)19-10-13(3)14(4)11-19/h5-8,12-14,17H,9-11,18H2,1-4H3
InChIKeyNUAYNKUHWKNVJP-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537191
2-(4-bromo-3-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188495
2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 81437164
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 79188674
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
2-(4-ethoxypiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 61218981
(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30072752
2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 43081261
1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81450937
1-[2-amino-1-(3,4-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464318
2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79188682

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine (CID 79188487) is 2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(CN)N2CC(C)C(C)C2)cc1.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is NUAYNKUHWKNVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)15-5-7-16(8-6-15)17(9-18)19-10-13(3)14(4)11-19/h5-8,12-14,17H,9-11,18H2,1-4H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 79188487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).