2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine

C16H26N2 — CID 79187944

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CN2CC(C)C(C)C2)cc1
InChIInChI=1S/C16H26N2/c1-4-14-5-7-15(8-6-14)16(17)11-18-9-12(2)13(3)10-18/h5-8,12-13,16H,4,9-11,17H2,1-3H3
InChIKeyWUNXRDWPHDJNRT-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.84
Rot. Bonds4

About 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine (PubChem CID 79187944) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine
PubChem CID79187944
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CN2CC(C)C(C)C2)cc1
InChIInChI=1S/C16H26N2/c1-4-14-5-7-15(8-6-14)16(17)11-18-9-12(2)13(3)10-18/h5-8,12-13,16H,4,9-11,17H2,1-3H3
InChIKeyWUNXRDWPHDJNRT-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine 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-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
2-(4,4-diethylpiperidin-1-yl)-1-(4-ethylphenyl)ethanamine
CID 63467884
1-[2-amino-2-(4-ethylphenyl)ethyl]-4-methylpyrrolidin-2-one
CID 63104245
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-ethylphenyl)ethanamine
CID 61424037
1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63610350
1-[(2S)-2-amino-2-phenylethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 112736995
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
2-[2-amino-2-(4-ethylphenyl)ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513402
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 16786128
1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
CID 79184683
2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
CID 115287909

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine (CID 79187944) is 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(N)CN2CC(C)C(C)C2)cc1.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is WUNXRDWPHDJNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-14-5-7-15(8-6-14)16(17)11-18-9-12(2)13(3)10-18/h5-8,12-13,16H,4,9-11,17H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 79187944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).