1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine

C19H26N2 — CID 105139820

IUPAC1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)c1ccc(C)nc1C
InChIInChI=1S/C19H26N2/c1-4-20-19(18-14-13-15(2)21-16(18)3)12-8-11-17-9-6-5-7-10-17/h5-7,9-10,13-14,19-20H,4,8,11-12H2,1-3H3
InChIKeyRRNNIUOSPRTTHN-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.37
Rot. Bonds7

About 1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine

1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine (PubChem CID 105139820) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine
PubChem CID105139820
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)c1ccc(C)nc1C
InChIInChI=1S/C19H26N2/c1-4-20-19(18-14-13-15(2)21-16(18)3)12-8-11-17-9-6-5-7-10-17/h5-7,9-10,13-14,19-20H,4,8,11-12H2,1-3H3
InChIKeyRRNNIUOSPRTTHN-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine
CID 105124811
1-(2,6-dimethyl-3-pyridinyl)-N-ethylbutan-1-amine
CID 105080327
1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine
CID 106857406
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
2-(2,6-dimethylphenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-ethylethanamine
CID 105174594
N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 115849308
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
1-(2,5-dibromothiophen-3-yl)-N-ethyl-4-phenylbutan-1-amine
CID 107968218
[1-(2,6-dimethyl-3-pyridinyl)-2-phenylethyl]hydrazine
CID 105283075
1-(2,6-dimethyl-3-pyridinyl)-N-methylpentan-1-amine
CID 105125315
N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine
CID 105094633
1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine
CID 105112281

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine (CID 105139820) is 1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine is CCNC(CCCc1ccccc1)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine?
The InChIKey is RRNNIUOSPRTTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-20-19(18-14-13-15(2)21-16(18)3)12-8-11-17-9-6-5-7-10-17/h5-7,9-10,13-14,19-20H,4,8,11-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine?
1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine is sourced from PubChem (CID 105139820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).