4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine

C18H24N2 — CID 105121222

IUPAC4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCc1cc(C)c(CC(N)CCc2cccnc2)c(C)c1
InChIInChI=1S/C18H24N2/c1-13-9-14(2)18(15(3)10-13)11-17(19)7-6-16-5-4-8-20-12-16/h4-5,8-10,12,17H,6-7,11,19H2,1-3H3
InChIKeyZUVSWXIRWHYZSD-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.51
Rot. Bonds5

About 4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine

4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine (PubChem CID 105121222) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
PubChem CID105121222
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCc1cc(C)c(CC(N)CCc2cccnc2)c(C)c1
InChIInChI=1S/C18H24N2/c1-13-9-14(2)18(15(3)10-13)11-17(19)7-6-16-5-4-8-20-12-16/h4-5,8-10,12,17H,6-7,11,19H2,1-3H3
InChIKeyZUVSWXIRWHYZSD-UHFFFAOYSA-N
XLogP3.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-3-ylhexan-3-amine
CID 64506028
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105122507
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
CID 62802997
[1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-3-ylpropyl]hydrazine
CID 106683000
1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine
CID 105135401
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
1-(5-methyl-3-pyridinyl)-6-phenylhexan-3-amine
CID 145472636
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105180686
[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105287766

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The IUPAC name of 4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine (CID 105121222) is 4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine.
What is the SMILES notation for 4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The canonical SMILES for 4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine is Cc1cc(C)c(CC(N)CCc2cccnc2)c(C)c1.
What is the InChIKey of 4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The InChIKey is ZUVSWXIRWHYZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-9-14(2)18(15(3)10-13)11-17(19)7-6-16-5-4-8-20-12-16/h4-5,8-10,12,17H,6-7,11,19H2,1-3H3.
What are the key properties of 4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine?
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine has a molecular weight of 268.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine is sourced from PubChem (CID 105121222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).