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

C13H20N2 — CID 117116788

IUPACN,N,2-trimethyl-5-pyrrolidin-2-ylaniline
SMILESCc1ccc(C2CCCN2)cc1N(C)C
InChIInChI=1S/C13H20N2/c1-10-6-7-11(9-13(10)15(2)3)12-5-4-8-14-12/h6-7,9,12,14H,4-5,8H2,1-3H3
InChIKeyHRUZJXKVLIFCIR-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.49
Rot. Bonds2

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

N,N,2-trimethyl-5-pyrrolidin-2-ylaniline (PubChem CID 117116788) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N,N,2-trimethyl-5-pyrrolidin-2-ylaniline.

Molecular Properties

Compound NameN,N,2-trimethyl-5-pyrrolidin-2-ylaniline
PubChem CID117116788
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN,N,2-trimethyl-5-pyrrolidin-2-ylaniline
SMILESCc1ccc(C2CCCN2)cc1N(C)C
InChIInChI=1S/C13H20N2/c1-10-6-7-11(9-13(10)15(2)3)12-5-4-8-14-12/h6-7,9,12,14H,4-5,8H2,1-3H3
InChIKeyHRUZJXKVLIFCIR-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride
CID 155976846
(2S)-2-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 66519102
N,N,2-trimethyl-5-pyrrolidin-3-ylaniline
CID 117116674
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
N,N-dimethyl-3-pyrrolidin-2-ylaniline
CID 3982054
2-methyl-5-piperidin-2-ylaniline
CID 55272863
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-methyl-4-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 66518349
(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine
CID 66518975
N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95732568
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-pyrrolidin-2-ylaniline?
The IUPAC name of N,N,2-trimethyl-5-pyrrolidin-2-ylaniline (CID 117116788) is N,N,2-trimethyl-5-pyrrolidin-2-ylaniline.
What is the SMILES notation for N,N,2-trimethyl-5-pyrrolidin-2-ylaniline?
The canonical SMILES for N,N,2-trimethyl-5-pyrrolidin-2-ylaniline is Cc1ccc(C2CCCN2)cc1N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-pyrrolidin-2-ylaniline?
The InChIKey is HRUZJXKVLIFCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-6-7-11(9-13(10)15(2)3)12-5-4-8-14-12/h6-7,9,12,14H,4-5,8H2,1-3H3.
What are the key properties of N,N,2-trimethyl-5-pyrrolidin-2-ylaniline?
N,N,2-trimethyl-5-pyrrolidin-2-ylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.49, 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-2-ylaniline is sourced from PubChem (CID 117116788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).