N,N,2-trimethyl-5-pyrrolidin-3-ylaniline

C13H20N2 — CID 117116674

IUPACN,N,2-trimethyl-5-pyrrolidin-3-ylaniline
SMILESCc1ccc(C2CCNC2)cc1N(C)C
InChIInChI=1S/C13H20N2/c1-10-4-5-11(8-13(10)15(2)3)12-6-7-14-9-12/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyIVBOOPDMLXOQAU-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.14
Rot. Bonds2

About N,N,2-trimethyl-5-pyrrolidin-3-ylaniline

N,N,2-trimethyl-5-pyrrolidin-3-ylaniline (PubChem CID 117116674) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N,N,2-trimethyl-5-pyrrolidin-3-ylaniline.

Molecular Properties

Compound NameN,N,2-trimethyl-5-pyrrolidin-3-ylaniline
PubChem CID117116674
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN,N,2-trimethyl-5-pyrrolidin-3-ylaniline
SMILESCc1ccc(C2CCNC2)cc1N(C)C
InChIInChI=1S/C13H20N2/c1-10-4-5-11(8-13(10)15(2)3)12-6-7-14-9-12/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyIVBOOPDMLXOQAU-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethyl-4-methylphenyl)pyrrolidine
CID 84662276
N,N,2-trimethyl-5-pyrrolidin-2-ylaniline
CID 117116788
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine
CID 82297925
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
CID 82620503
2-methyl-5-piperidin-4-ylaniline
CID 105444511
N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline
CID 117116687
2-methyl-4-piperidin-3-ylphenol
CID 84663479
3-(3,4-dimethylphenyl)azetidine
CID 82280235
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448
3-[3-(4-methylphenyl)phenyl]pyrrolidine
CID 82292012

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-pyrrolidin-3-ylaniline?
The IUPAC name of N,N,2-trimethyl-5-pyrrolidin-3-ylaniline (CID 117116674) is N,N,2-trimethyl-5-pyrrolidin-3-ylaniline.
What is the SMILES notation for N,N,2-trimethyl-5-pyrrolidin-3-ylaniline?
The canonical SMILES for N,N,2-trimethyl-5-pyrrolidin-3-ylaniline is Cc1ccc(C2CCNC2)cc1N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-pyrrolidin-3-ylaniline?
The InChIKey is IVBOOPDMLXOQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-4-5-11(8-13(10)15(2)3)12-6-7-14-9-12/h4-5,8,12,14H,6-7,9H2,1-3H3.
What are the key properties of N,N,2-trimethyl-5-pyrrolidin-3-ylaniline?
N,N,2-trimethyl-5-pyrrolidin-3-ylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-pyrrolidin-3-ylaniline is sourced from PubChem (CID 117116674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).