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

C16H27N3O — CID 63166417

IUPAC1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCOc1cccc(C(CN)N2CCC(N(C)C)C2)c1
InChIInChI=1S/C16H27N3O/c1-4-20-15-7-5-6-13(10-15)16(11-17)19-9-8-14(12-19)18(2)3/h5-7,10,14,16H,4,8-9,11-12,17H2,1-3H3
InChIKeyNRDITVOOQUCTES-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.72
Rot. Bonds6

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

1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166417) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166417
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCOc1cccc(C(CN)N2CCC(N(C)C)C2)c1
InChIInChI=1S/C16H27N3O/c1-4-20-15-7-5-6-13(10-15)16(11-17)19-9-8-14(12-19)18(2)3/h5-7,10,14,16H,4,8-9,11-12,17H2,1-3H3
InChIKeyNRDITVOOQUCTES-UHFFFAOYSA-N
XLogP1.72
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine
CID 63605407
2-(3-ethoxyphenyl)-2-(1,4-thiazepan-4-yl)ethanamine
CID 61419864
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 105404983
3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
CID 112509278
2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61224408
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316
1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166554
2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973250
1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 79983177
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63166417) is 1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CCOc1cccc(C(CN)N2CCC(N(C)C)C2)c1.
What is the InChIKey of 1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is NRDITVOOQUCTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-20-15-7-5-6-13(10-15)16(11-17)19-9-8-14(12-19)18(2)3/h5-7,10,14,16H,4,8-9,11-12,17H2,1-3H3.
What are the key properties of 1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 277.41 g/mol, XLogP of 1.72, 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-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).