1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine

C19H26N2 — CID 105174638

IUPAC1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
SMILESCCNC(CCc1ccccn1)Cc1c(C)cccc1C
InChIInChI=1S/C19H26N2/c1-4-20-18(12-11-17-10-5-6-13-21-17)14-19-15(2)8-7-9-16(19)3/h5-10,13,18,20H,4,11-12,14H2,1-3H3
InChIKeyGNPLSTRSZQHNKW-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.85
Rot. Bonds7

About 1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine

1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine (PubChem CID 105174638) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
PubChem CID105174638
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
SMILESCCNC(CCc1ccccn1)Cc1c(C)cccc1C
InChIInChI=1S/C19H26N2/c1-4-20-18(12-11-17-10-5-6-13-21-17)14-19-15(2)8-7-9-16(19)3/h5-10,13,18,20H,4,11-12,14H2,1-3H3
InChIKeyGNPLSTRSZQHNKW-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine
CID 105136068
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine
CID 105174650
N-ethyl-4-pyridin-2-yl-1-thiophen-2-ylbutan-2-amine
CID 105134313
1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105136549
1-(2-chloro-3-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105178944
1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105174695
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105139574
N-ethyl-6-methyl-1-pyridin-2-ylhept-6-en-3-amine
CID 105182655
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105190483
1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105190641

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine (CID 105174638) is 1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine is CCNC(CCc1ccccn1)Cc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The InChIKey is GNPLSTRSZQHNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-20-18(12-11-17-10-5-6-13-21-17)14-19-15(2)8-7-9-16(19)3/h5-10,13,18,20H,4,11-12,14H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105174638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).