1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine

C16H26N2 — CID 117017824

IUPAC1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCc1ccccc1N1CCC(CNC)C1(C)C
InChIInChI=1S/C16H26N2/c1-5-13-8-6-7-9-15(13)18-11-10-14(12-17-4)16(18,2)3/h6-9,14,17H,5,10-12H2,1-4H3
InChIKeyNXXBQTJWPWCVSQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.07
Rot. Bonds4

About 1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 117017824) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID117017824
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCc1ccccc1N1CCC(CNC)C1(C)C
InChIInChI=1S/C16H26N2/c1-5-13-8-6-7-9-15(13)18-11-10-14(12-17-4)16(18,2)3/h6-9,14,17H,5,10-12H2,1-4H3
InChIKeyNXXBQTJWPWCVSQ-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine 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

Desipramine
CID 2995
Desipramine Hydrochloride
CID 65327
2-Amino-5-(diethylamino)toluene
CID 67364
Dicarbine
CID 65684
Indoline
CID 10328
N,N'-Di-o-tolylethylenediamine
CID 66759
2-Methylindoline
CID 23305
Didesmethylimipramine
CID 159642
2,N-Dimethylaniline
CID 69137
Benzenamine, N-ethyl-2-methyl-
CID 7201
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
1-(2,3-Xylyl)piperazine
CID 70541

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine (CID 117017824) is 1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine is CCc1ccccc1N1CCC(CNC)C1(C)C.
What is the InChIKey of 1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is NXXBQTJWPWCVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-13-8-6-7-9-15(13)18-11-10-14(12-17-4)16(18,2)3/h6-9,14,17H,5,10-12H2,1-4H3.
What are the key properties of 1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylphenyl)-2,2-dimethylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 117017824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).