1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine

C18H22N2 — CID 144581566

IUPAC1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine
SMILESC=C(c1cc(Cc2ccc(CC)cc2)ccn1)N(C)C
InChIInChI=1S/C18H22N2/c1-5-15-6-8-16(9-7-15)12-17-10-11-19-18(13-17)14(2)20(3)4/h6-11,13H,2,5,12H2,1,3-4H3
InChIKeyQSZCTBIBSSPHCZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.77
Rot. Bonds5

About 1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine

1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine (PubChem CID 144581566) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine
PubChem CID144581566
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine
SMILESC=C(c1cc(Cc2ccc(CC)cc2)ccn1)N(C)C
InChIInChI=1S/C18H22N2/c1-5-15-6-8-16(9-7-15)12-17-10-11-19-18(13-17)14(2)20(3)4/h6-11,13H,2,5,12H2,1,3-4H3
InChIKeyQSZCTBIBSSPHCZ-UHFFFAOYSA-N
XLogP3.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine?
The IUPAC name of 1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine (CID 144581566) is 1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine.
What is the SMILES notation for 1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine?
The canonical SMILES for 1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine is C=C(c1cc(Cc2ccc(CC)cc2)ccn1)N(C)C.
What is the InChIKey of 1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine?
The InChIKey is QSZCTBIBSSPHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-5-15-6-8-16(9-7-15)12-17-10-11-19-18(13-17)14(2)20(3)4/h6-11,13H,2,5,12H2,1,3-4H3.
What are the key properties of 1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine?
1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine has a molecular weight of 266.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine is sourced from PubChem (CID 144581566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).