1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine

C21H28N2O2 — CID 113223845

IUPAC1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine
SMILESCOc1ccc(C(C)NC2CCN(Cc3ccccc3)C2)cc1OC
InChIInChI=1S/C21H28N2O2/c1-16(18-9-10-20(24-2)21(13-18)25-3)22-19-11-12-23(15-19)14-17-7-5-4-6-8-17/h4-10,13,16,19,22H,11-12,14-15H2,1-3H3
InChIKeyAUEHYSQBRJFNSO-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.63
Rot. Bonds7

About 1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine

1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 113223845) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine
PubChem CID113223845
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine
SMILESCOc1ccc(C(C)NC2CCN(Cc3ccccc3)C2)cc1OC
InChIInChI=1S/C21H28N2O2/c1-16(18-9-10-20(24-2)21(13-18)25-3)22-19-11-12-23(15-19)14-17-7-5-4-6-8-17/h4-10,13,16,19,22H,11-12,14-15H2,1-3H3
InChIKeyAUEHYSQBRJFNSO-UHFFFAOYSA-N
XLogP3.63
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-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-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 43150704
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
N-[1-(3-methoxyphenyl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 67407391
1-benzyl-N-[1-(5-bromofuran-2-yl)ethyl]pyrrolidin-3-amine
CID 104652483
N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79145243
1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
CID 46766819
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
CID 61471775
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 82994281
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80706040

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine (CID 113223845) is 1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine is COc1ccc(C(C)NC2CCN(Cc3ccccc3)C2)cc1OC.
What is the InChIKey of 1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is AUEHYSQBRJFNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(18-9-10-20(24-2)21(13-18)25-3)22-19-11-12-23(15-19)14-17-7-5-4-6-8-17/h4-10,13,16,19,22H,11-12,14-15H2,1-3H3.
What are the key properties of 1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine?
1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 340.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 113223845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).