1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C16H27N3O2 — CID 63163900

IUPAC1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(OC)c(C(N)CN2CCC(N(C)C)C2)c1
InChIInChI=1S/C16H27N3O2/c1-18(2)12-7-8-19(10-12)11-15(17)14-9-13(20-3)5-6-16(14)21-4/h5-6,9,12,15H,7-8,10-11,17H2,1-4H3
InChIKeyVDCRBGSNNMVFCN-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.34
Rot. Bonds6

About 1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63163900) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63163900
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(OC)c(C(N)CN2CCC(N(C)C)C2)c1
InChIInChI=1S/C16H27N3O2/c1-18(2)12-7-8-19(10-12)11-15(17)14-9-13(20-3)5-6-16(14)21-4/h5-6,9,12,15H,7-8,10-11,17H2,1-4H3
InChIKeyVDCRBGSNNMVFCN-UHFFFAOYSA-N
XLogP1.34
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532358
1-(2,5-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16780959
N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 16790532
1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164252
1-(2-amino-2-naphthalen-1-ylethyl)-N,N-dimethylpyrrolidin-3-amine
CID 63163943
1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521048
1-[2-amino-2-(4-methoxyphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63169686
1-(2,4-dimethoxyphenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420654
N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43569070
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734412
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63163900) is 1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is COc1ccc(OC)c(C(N)CN2CCC(N(C)C)C2)c1.
What is the InChIKey of 1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is VDCRBGSNNMVFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-18(2)12-7-8-19(10-12)11-15(17)14-9-13(20-3)5-6-16(14)21-4/h5-6,9,12,15H,7-8,10-11,17H2,1-4H3.
What are the key properties of 1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 293.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63163900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).