N-[(4-tert-butylphenyl)methyl]pyridin-2-amine

C16H20N2 — CID 2228895

IUPACN-[(4-tert-butylphenyl)methyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(CNc2ccccn2)cc1
InChIInChI=1S/C16H20N2/c1-16(2,3)14-9-7-13(8-10-14)12-18-15-6-4-5-11-17-15/h4-11H,12H2,1-3H3,(H,17,18)
InChIKeyVFEFYXBQVSYDRE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.99
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]pyridin-2-amine

N-[(4-tert-butylphenyl)methyl]pyridin-2-amine (PubChem CID 2228895) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]pyridin-2-amine
PubChem CID2228895
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(4-tert-butylphenyl)methyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(CNc2ccccn2)cc1
InChIInChI=1S/C16H20N2/c1-16(2,3)14-9-7-13(8-10-14)12-18-15-6-4-5-11-17-15/h4-11H,12H2,1-3H3,(H,17,18)
InChIKeyVFEFYXBQVSYDRE-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]pyridin-2-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]pyridin-2-amine (CID 2228895) is N-[(4-tert-butylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]pyridin-2-amine is CC(C)(C)c1ccc(CNc2ccccn2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]pyridin-2-amine?
The InChIKey is VFEFYXBQVSYDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(2,3)14-9-7-13(8-10-14)12-18-15-6-4-5-11-17-15/h4-11H,12H2,1-3H3,(H,17,18).
What are the key properties of N-[(4-tert-butylphenyl)methyl]pyridin-2-amine?
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 2228895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).