N,N-dimethyl-3-pyrrolidin-2-ylaniline

C12H18N2 — CID 3982054

IUPACN,N-dimethyl-3-pyrrolidin-2-ylaniline
SMILESCN(C)c1cccc(C2CCCN2)c1
InChIInChI=1S/C12H18N2/c1-14(2)11-6-3-5-10(9-11)12-7-4-8-13-12/h3,5-6,9,12-13H,4,7-8H2,1-2H3
InChIKeyANJCNEGOWWWSNE-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.18
Rot. Bonds2

About N,N-dimethyl-3-pyrrolidin-2-ylaniline

N,N-dimethyl-3-pyrrolidin-2-ylaniline (PubChem CID 3982054) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrrolidin-2-ylaniline.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrrolidin-2-ylaniline
PubChem CID3982054
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN,N-dimethyl-3-pyrrolidin-2-ylaniline
SMILESCN(C)c1cccc(C2CCCN2)c1
InChIInChI=1S/C12H18N2/c1-14(2)11-6-3-5-10(9-11)12-7-4-8-13-12/h3,5-6,9,12-13H,4,7-8H2,1-2H3
InChIKeyANJCNEGOWWWSNE-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 45156256
2-(3-iodophenyl)pyrrolidine;hydrochloride
CID 154803675
N,N,2-trimethyl-5-pyrrolidin-2-ylaniline
CID 117116788
(2R)-2-(3-methylphenyl)azepane
CID 7048257
(2S)-2-(3-ethenylphenyl)pyrrolidine
CID 55252972
2-[3-(thian-4-yl)phenyl]pyrrolidine
CID 117372154
2-(3-pentan-3-ylphenyl)pyrrolidine
CID 83836317
(2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride
CID 162344454
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
(2R)-2-(3-iodophenyl)piperidine
CID 7048045
2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine
CID 84689852
N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
CID 66518494

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrrolidin-2-ylaniline?
The IUPAC name of N,N-dimethyl-3-pyrrolidin-2-ylaniline (CID 3982054) is N,N-dimethyl-3-pyrrolidin-2-ylaniline.
What is the SMILES notation for N,N-dimethyl-3-pyrrolidin-2-ylaniline?
The canonical SMILES for N,N-dimethyl-3-pyrrolidin-2-ylaniline is CN(C)c1cccc(C2CCCN2)c1.
What is the InChIKey of N,N-dimethyl-3-pyrrolidin-2-ylaniline?
The InChIKey is ANJCNEGOWWWSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-14(2)11-6-3-5-10(9-11)12-7-4-8-13-12/h3,5-6,9,12-13H,4,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-pyrrolidin-2-ylaniline?
N,N-dimethyl-3-pyrrolidin-2-ylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyrrolidin-2-ylaniline is sourced from PubChem (CID 3982054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).