[4-(4-tert-butylphenyl)-3-pyridinyl]methanamine

C16H20N2 — CID 82387749

IUPAC[4-(4-tert-butylphenyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)c1ccc(-c2ccncc2CN)cc1
InChIInChI=1S/C16H20N2/c1-16(2,3)14-6-4-12(5-7-14)15-8-9-18-11-13(15)10-17/h4-9,11H,10,17H2,1-3H3
InChIKeyITMHGIOKAMZQNI-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.50
Rot. Bonds2

About [4-(4-tert-butylphenyl)-3-pyridinyl]methanamine

[4-(4-tert-butylphenyl)-3-pyridinyl]methanamine (PubChem CID 82387749) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)-3-pyridinyl]methanamine
PubChem CID82387749
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name[4-(4-tert-butylphenyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)c1ccc(-c2ccncc2CN)cc1
InChIInChI=1S/C16H20N2/c1-16(2,3)14-6-4-12(5-7-14)15-8-9-18-11-13(15)10-17/h4-9,11H,10,17H2,1-3H3
InChIKeyITMHGIOKAMZQNI-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenyl)pyridin-3-amine
CID 83167595
[4-(4-aminophenyl)-3-pyridinyl]methanol
CID 162362514
[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 66524168
4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine
CID 46830868
3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine
CID 90764339
(4-methylsulfonyl-3-pyridinyl)methanamine
CID 129011162
[2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine
CID 82293093
[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine
CID 81253366
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 81246543
3-(aminomethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81249725
[3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine
CID 82479628
1-tert-butyl-4-[2-(chloromethyl)phenyl]benzene
CID 141176156

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)-3-pyridinyl]methanamine?
The IUPAC name of [4-(4-tert-butylphenyl)-3-pyridinyl]methanamine (CID 82387749) is [4-(4-tert-butylphenyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(4-tert-butylphenyl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(4-tert-butylphenyl)-3-pyridinyl]methanamine is CC(C)(C)c1ccc(-c2ccncc2CN)cc1.
What is the InChIKey of [4-(4-tert-butylphenyl)-3-pyridinyl]methanamine?
The InChIKey is ITMHGIOKAMZQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(2,3)14-6-4-12(5-7-14)15-8-9-18-11-13(15)10-17/h4-9,11H,10,17H2,1-3H3.
What are the key properties of [4-(4-tert-butylphenyl)-3-pyridinyl]methanamine?
[4-(4-tert-butylphenyl)-3-pyridinyl]methanamine has a molecular weight of 240.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 82387749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).