N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine

C17H28N2 — CID 116906674

IUPACN,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(CC2CCCN2)N(C)C)cc1C
InChIInChI=1S/C17H28N2/c1-12-9-14(3)16(10-13(12)2)17(19(4)5)11-15-7-6-8-18-15/h9-10,15,17-18H,6-8,11H2,1-5H3
InChIKeyKEBGUGBIQPYYSZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.36
Rot. Bonds4

About N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine

N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 116906674) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID116906674
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(CC2CCCN2)N(C)C)cc1C
InChIInChI=1S/C17H28N2/c1-12-9-14(3)16(10-13(12)2)17(19(4)5)11-15-7-6-8-18-15/h9-10,15,17-18H,6-8,11H2,1-5H3
InChIKeyKEBGUGBIQPYYSZ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906803
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine
CID 116906661
N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
CID 116906796
1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116936006
1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906794
1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906804
N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541870
2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208055
2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 79560822
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine
CID 116906639
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine (CID 116906674) is N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(CC2CCCN2)N(C)C)cc1C.
What is the InChIKey of N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is KEBGUGBIQPYYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-9-14(3)16(10-13(12)2)17(19(4)5)11-15-7-6-8-18-15/h9-10,15,17-18H,6-8,11H2,1-5H3.
What are the key properties of N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine?
N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 116906674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).