N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline

C16H26N2 — CID 55076467

IUPACN-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline
SMILESCCN(CCCC1CCCN1)c1cccc(C)c1
InChIInChI=1S/C16H26N2/c1-3-18(16-10-4-7-14(2)13-16)12-6-9-15-8-5-11-17-15/h4,7,10,13,15,17H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyAXEFRLQSOZEAQQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline

N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline (PubChem CID 55076467) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline
PubChem CID55076467
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline
SMILESCCN(CCCC1CCCN1)c1cccc(C)c1
InChIInChI=1S/C16H26N2/c1-3-18(16-10-4-7-14(2)13-16)12-6-9-15-8-5-11-17-15/h4,7,10,13,15,17H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyAXEFRLQSOZEAQQ-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline
CID 62480475
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-ethyl-N-(3-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212541
(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119831742
N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82915842
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62479760
N,N-dibutyl-3-methylaniline
CID 15332677
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline?
The IUPAC name of N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline (CID 55076467) is N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline?
The canonical SMILES for N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline is CCN(CCCC1CCCN1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline?
The InChIKey is AXEFRLQSOZEAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18(16-10-4-7-14(2)13-16)12-6-9-15-8-5-11-17-15/h4,7,10,13,15,17H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline?
N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline is sourced from PubChem (CID 55076467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).