1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine

C18H24N2 — CID 107503560

IUPAC1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cc(C)nc(C)c1
InChIInChI=1S/C18H24N2/c1-14-12-17(13-15(2)20-14)18(19-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-13,18-19H,7,10-11H2,1-3H3
InChIKeyRIOQARALSDELCJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.98
Rot. Bonds6

About 1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine

1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine (PubChem CID 107503560) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine
PubChem CID107503560
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cc(C)nc(C)c1
InChIInChI=1S/C18H24N2/c1-14-12-17(13-15(2)20-14)18(19-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-13,18-19H,7,10-11H2,1-3H3
InChIKeyRIOQARALSDELCJ-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol
CID 107502681
1-(3-bromo-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849378
N-methyl-4-phenyl-1-pyridazin-4-ylbutan-1-amine
CID 105139889
1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
CID 62606227
1-(2,6-dimethyl-4-pyridinyl)-N-methylbutan-1-amine
CID 107503528
1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine
CID 114210054
1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849503
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine
CID 115849427
1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849318
1-(2,6-dimethyl-4-pyridinyl)-N-methylpropan-1-amine
CID 107503443
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine
CID 115849651

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine (CID 107503560) is 1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine is CNC(CCCc1ccccc1)c1cc(C)nc(C)c1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine?
The InChIKey is RIOQARALSDELCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-12-17(13-15(2)20-14)18(19-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-13,18-19H,7,10-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine?
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 107503560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).