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

C17H22N2 — CID 105174650

IUPAC1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine
SMILESCc1cccc(C)c1CC(N)CCc1ccccn1
InChIInChI=1S/C17H22N2/c1-13-6-5-7-14(2)17(13)12-15(18)9-10-16-8-3-4-11-19-16/h3-8,11,15H,9-10,12,18H2,1-2H3
InChIKeyWWOUWCINJPQVLT-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.20
Rot. Bonds5

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

1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine (PubChem CID 105174650) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine
PubChem CID105174650
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine
SMILESCc1cccc(C)c1CC(N)CCc1ccccn1
InChIInChI=1S/C17H22N2/c1-13-6-5-7-14(2)17(13)12-15(18)9-10-16-8-3-4-11-19-16/h3-8,11,15H,9-10,12,18H2,1-2H3
InChIKeyWWOUWCINJPQVLT-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105174638
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine
CID 62367106
1-ethoxy-4-pyridin-2-ylbutan-2-amine
CID 105165178
1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105154923
3-amino-5-pyridin-2-ylpentanamide
CID 154265454
1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105162643
[1-(2-methylphenyl)-3-pyridin-2-ylpropyl]hydrazine
CID 105286070
4-amino-5-pyridin-2-ylpentan-1-ol
CID 175131878
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66099254
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine (CID 105174650) is 1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine is Cc1cccc(C)c1CC(N)CCc1ccccn1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine?
The InChIKey is WWOUWCINJPQVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-6-5-7-14(2)17(13)12-15(18)9-10-16-8-3-4-11-19-16/h3-8,11,15H,9-10,12,18H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine?
1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105174650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).