1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine

C17H28N2 — CID 63220037

IUPAC1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine
SMILESCNC(CN1CCCC1(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-7-8-15(11-14(13)2)16(18-5)12-19-10-6-9-17(19,3)4/h7-8,11,16,18H,6,9-10,12H2,1-5H3
InChIKeyWZTLLIDAWNCEGM-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.44
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine

1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine (PubChem CID 63220037) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine
PubChem CID63220037
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine
SMILESCNC(CN1CCCC1(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-7-8-15(11-14(13)2)16(18-5)12-19-10-6-9-17(19,3)4/h7-8,11,16,18H,6,9-10,12H2,1-5H3
InChIKeyWZTLLIDAWNCEGM-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44414708
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CID 3129766
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
N-Methyl-4-(pyrrolidin-1-ylmethyl)benzylamine
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Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amine
CID 44578367
(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592195
N'-[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethyl]-N,N-dimethylpropane-1,3-diamine
CID 3396601
Diethyl-[4-(phenyl-piperazin-1-yl-methyl)-benzyl]-amine
CID 10735696
1-(3,4-dimethylphenyl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine
CID 168296566
1-(2,4,6-Trimethylbenzyl)piperazine
CID 2737385
(2-Amino-1-phenylethyl)diethylamine
CID 3860307

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine (CID 63220037) is 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine is CNC(CN1CCCC1(C)C)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine?
The InChIKey is WZTLLIDAWNCEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-7-8-15(11-14(13)2)16(18-5)12-19-10-6-9-17(19,3)4/h7-8,11,16,18H,6,9-10,12H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine?
1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine is sourced from PubChem (CID 63220037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).