(4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine

C18H24N2 — CID 107503111

IUPAC(4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
SMILESCc1cc(C(N)c2ccc(C(C)(C)C)cc2)cc(C)n1
InChIInChI=1S/C18H24N2/c1-12-10-15(11-13(2)20-12)17(19)14-6-8-16(9-7-14)18(3,4)5/h6-11,17H,19H2,1-5H3
InChIKeyMHGIIDVFFKMQCS-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.04
Rot. Bonds2

About (4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine

(4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine (PubChem CID 107503111) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
PubChem CID107503111
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name(4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
SMILESCc1cc(C(N)c2ccc(C(C)(C)C)cc2)cc(C)n1
InChIInChI=1S/C18H24N2/c1-12-10-15(11-13(2)20-12)17(19)14-6-8-16(9-7-14)18(3,4)5/h6-11,17H,19H2,1-5H3
InChIKeyMHGIIDVFFKMQCS-UHFFFAOYSA-N
XLogP4.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine
CID 43559856
(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877511
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427
1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 82417415
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine
CID 82106116
(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 65279555
(4-tert-butylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105007084

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine?
The IUPAC name of (4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine (CID 107503111) is (4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine.
What is the SMILES notation for (4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine?
The canonical SMILES for (4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine is Cc1cc(C(N)c2ccc(C(C)(C)C)cc2)cc(C)n1.
What is the InChIKey of (4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine?
The InChIKey is MHGIIDVFFKMQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12-10-15(11-13(2)20-12)17(19)14-6-8-16(9-7-14)18(3,4)5/h6-11,17H,19H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine?
(4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine has a molecular weight of 268.40 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine is sourced from PubChem (CID 107503111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).