1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine

C19H26N2 — CID 105101158

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
SMILESCCNC(CCc1ccncc1)Cc1cc(C)ccc1C
InChIInChI=1S/C19H26N2/c1-4-21-19(8-7-17-9-11-20-12-10-17)14-18-13-15(2)5-6-16(18)3/h5-6,9-13,19,21H,4,7-8,14H2,1-3H3
InChIKeyXBJQXUFCAMFLMM-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.85
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine

1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine (PubChem CID 105101158) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
PubChem CID105101158
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
SMILESCCNC(CCc1ccncc1)Cc1cc(C)ccc1C
InChIInChI=1S/C19H26N2/c1-4-21-19(8-7-17-9-11-20-12-10-17)14-18-13-15(2)5-6-16(18)3/h5-6,9-13,19,21H,4,7-8,14H2,1-3H3
InChIKeyXBJQXUFCAMFLMM-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

1-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 61482090
1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856849
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-2-amine
CID 61482245
1-(2,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 65092524
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105158653
N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine
CID 105077588
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
N,5-diethyl-1-pyridin-4-ylheptan-3-amine
CID 105176845

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine (CID 105101158) is 1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine is CCNC(CCc1ccncc1)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The InChIKey is XBJQXUFCAMFLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-21-19(8-7-17-9-11-20-12-10-17)14-18-13-15(2)5-6-16(18)3/h5-6,9-13,19,21H,4,7-8,14H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-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-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 105101158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).