N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine

C15H24N2 — CID 115119069

IUPACN-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc(CCNC2CCNC2)c(C)c1C
InChIInChI=1S/C15H24N2/c1-11-4-5-14(13(3)12(11)2)6-9-17-15-7-8-16-10-15/h4-5,15-17H,6-10H2,1-3H3
InChIKeyWPSAOQSXSNZGED-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine

N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 115119069) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID115119069
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc(CCNC2CCNC2)c(C)c1C
InChIInChI=1S/C15H24N2/c1-11-4-5-14(13(3)12(11)2)6-9-17-15-7-8-16-10-15/h4-5,15-17H,6-10H2,1-3H3
InChIKeyWPSAOQSXSNZGED-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118464
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115118996
4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149890
3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine
CID 116925658
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119043
N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine
CID 115118986
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine
CID 115118851
N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 22643507
N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine
CID 115119164
N-(2-naphthalen-1-ylethyl)piperidin-4-amine
CID 115118495

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine (CID 115119069) is N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine is Cc1ccc(CCNC2CCNC2)c(C)c1C.
What is the InChIKey of N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is WPSAOQSXSNZGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-4-5-14(13(3)12(11)2)6-9-17-15-7-8-16-10-15/h4-5,15-17H,6-10H2,1-3H3.
What are the key properties of N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine?
N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 115119069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).