N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline

C14H22N2 — CID 117118272

IUPACN,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline
SMILESCc1cccc(N(C)C)c1CC1CCCN1
InChIInChI=1S/C14H22N2/c1-11-6-4-8-14(16(2)3)13(11)10-12-7-5-9-15-12/h4,6,8,12,15H,5,7,9-10H2,1-3H3
InChIKeyGRMPIRXBKUJSIQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.36
Rot. Bonds3

About N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline

N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 117118272) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline
PubChem CID117118272
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline
SMILESCc1cccc(N(C)C)c1CC1CCCN1
InChIInChI=1S/C14H22N2/c1-11-6-4-8-14(16(2)3)13(11)10-12-7-5-9-15-12/h4,6,8,12,15H,5,7,9-10H2,1-3H3
InChIKeyGRMPIRXBKUJSIQ-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
CID 84808311
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
N-methyl-N-[2-(pyrrolidin-2-ylmethyl)phenyl]methanesulfonamide
CID 117424887
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060
2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole
CID 84630578
2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
CID 117324200
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline (CID 117118272) is N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline is Cc1cccc(N(C)C)c1CC1CCCN1.
What is the InChIKey of N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is GRMPIRXBKUJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-6-4-8-14(16(2)3)13(11)10-12-7-5-9-15-12/h4,6,8,12,15H,5,7,9-10H2,1-3H3.
What are the key properties of N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline?
N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 218.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 117118272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).