3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine

C18H30N2 — CID 63218029

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCN1CCCC1(C)C)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-5-19-17(16-10-7-6-9-15(16)2)11-14-20-13-8-12-18(20,3)4/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3
InChIKeyKMWNDCAIXNGULG-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds6

About 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine

3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine (PubChem CID 63218029) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
PubChem CID63218029
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCN1CCCC1(C)C)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-5-19-17(16-10-7-6-9-15(16)2)11-14-20-13-8-12-18(20,3)4/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3
InChIKeyKMWNDCAIXNGULG-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63495682
3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63481940
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396
N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 107392171
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63493793
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
2-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine
CID 63469155
1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63494166
N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537943
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002194
6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine
CID 106799833

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine (CID 63218029) is 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine is CCNC(CCN1CCCC1(C)C)c1ccccc1C.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The InChIKey is KMWNDCAIXNGULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-19-17(16-10-7-6-9-15(16)2)11-14-20-13-8-12-18(20,3)4/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 63218029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).