5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine

C18H24N2 — CID 107874733

IUPAC5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine
SMILESCCc1ccccc1CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C18H24N2/c1-5-14-8-6-7-9-15(14)12-19-17-11-10-16(13-20-17)18(2,3)4/h6-11,13H,5,12H2,1-4H3,(H,19,20)
InChIKeyMYPYCBWZIDUNAD-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.55
Rot. Bonds4

About 5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine

5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine (PubChem CID 107874733) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine
PubChem CID107874733
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine
SMILESCCc1ccccc1CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C18H24N2/c1-5-14-8-6-7-9-15(14)12-19-17-11-10-16(13-20-17)18(2,3)4/h6-11,13H,5,12H2,1-4H3,(H,19,20)
InChIKeyMYPYCBWZIDUNAD-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine (CID 107874733) is 5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine is CCc1ccccc1CNc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine?
The InChIKey is MYPYCBWZIDUNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-5-14-8-6-7-9-15(14)12-19-17-11-10-16(13-20-17)18(2,3)4/h6-11,13H,5,12H2,1-4H3,(H,19,20).
What are the key properties of 5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine?
5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine has a molecular weight of 268.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 107874733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).