3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline

C13H16N2 — CID 154627943

IUPAC3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2=NC=CCC2)c1
InChIInChI=1S/C13H16N2/c1-15(2)12-7-5-6-11(10-12)13-8-3-4-9-14-13/h4-7,9-10H,3,8H2,1-2H3
InChIKeyMSCARSQTKXQHAB-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.85
Rot. Bonds2

About 3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline

3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline (PubChem CID 154627943) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline
PubChem CID154627943
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2=NC=CCC2)c1
InChIInChI=1S/C13H16N2/c1-15(2)12-7-5-6-11(10-12)13-8-3-4-9-14-13/h4-7,9-10H,3,8H2,1-2H3
InChIKeyMSCARSQTKXQHAB-UHFFFAOYSA-N
XLogP2.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118529608
4-[3-(dimethylamino)phenyl]pyridin-2-amine
CID 82556008
4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3585379
3-(2-fluorophenyl)-N,N-dimethylaniline
CID 173224461
2-[3-(dimethylamino)phenyl]pyridin-4-amine
CID 130234930
[4-[3-(dimethylamino)phenyl]phenyl]methanol
CID 142804587
3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline
CID 59031055
3-(1H-inden-2-yl)-N,N-dimethylaniline
CID 86066545
4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
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3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline
CID 121499473

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline (CID 154627943) is 3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline is CN(C)c1cccc(C2=NC=CCC2)c1.
What is the InChIKey of 3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline?
The InChIKey is MSCARSQTKXQHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-15(2)12-7-5-6-11(10-12)13-8-3-4-9-14-13/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline?
3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline has a molecular weight of 200.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydropyridin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 154627943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).