1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

C17H29N3O — CID 81450937

IUPAC1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCOc1ccc(C(CN)N2CC(C)C(N(C)C)C2)cc1
InChIInChI=1S/C17H29N3O/c1-5-21-15-8-6-14(7-9-15)16(10-18)20-11-13(2)17(12-20)19(3)4/h6-9,13,16-17H,5,10-12,18H2,1-4H3
InChIKeyGPWUXBUQWSREMU-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.97
Rot. Bonds6

About 1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81450937) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81450937
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCOc1ccc(C(CN)N2CC(C)C(N(C)C)C2)cc1
InChIInChI=1S/C17H29N3O/c1-5-21-15-8-6-14(7-9-15)16(10-18)20-11-13(2)17(12-20)19(3)4/h6-9,13,16-17H,5,10-12,18H2,1-4H3
InChIKeyGPWUXBUQWSREMU-UHFFFAOYSA-N
XLogP1.97
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(3,4-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464318
1-[2-amino-1-(3,5-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463926
2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61224408
1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465043
1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81460436
(3S,4R)-1-[(1R)-1-(4-chlorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 100904795
2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 79188487
2-(4-ethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584286
1-[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 104816411
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
1-[2-amino-1-(4-methylphenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81450382
2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55152004

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81450937) is 1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is CCOc1ccc(C(CN)N2CC(C)C(N(C)C)C2)cc1.
What is the InChIKey of 1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is GPWUXBUQWSREMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-21-15-8-6-14(7-9-15)16(10-18)20-11-13(2)17(12-20)19(3)4/h6-9,13,16-17H,5,10-12,18H2,1-4H3.
What are the key properties of 1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81450937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).