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

C16H27N3O — CID 81460436

IUPAC1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCOc1ccccc1C(CN)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H27N3O/c1-12-10-19(11-15(12)18(2)3)14(9-17)13-7-5-6-8-16(13)20-4/h5-8,12,14-15H,9-11,17H2,1-4H3
InChIKeyUVTLIIINXRHODB-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.58
Rot. Bonds5

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

1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81460436) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81460436
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCOc1ccccc1C(CN)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H27N3O/c1-12-10-19(11-15(12)18(2)3)14(9-17)13-7-5-6-8-16(13)20-4/h5-8,12,14-15H,9-11,17H2,1-4H3
InChIKeyUVTLIIINXRHODB-UHFFFAOYSA-N
XLogP1.58
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 104816411
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanamine
CID 30118002
1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81450937
1-[2-amino-1-(3,5-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463926
2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 79182595
1-[2-amino-1-(2-methylphenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451104
2-(4-ethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanamine
CID 61420799
1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465043
[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol
CID 112624382
(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30066490
1-[2-amino-1-(3,4-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464318
1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890915

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81460436) is 1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is COc1ccccc1C(CN)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is UVTLIIINXRHODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-10-19(11-15(12)18(2)3)14(9-17)13-7-5-6-8-16(13)20-4/h5-8,12,14-15H,9-11,17H2,1-4H3.
What are the key properties of 1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 277.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81460436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).