2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline

C22H32N2 — CID 20706847

IUPAC2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline
SMILESCc1cc(C(C)(C)C)c(NC(C)c2ccccn2)c(C(C)(C)C)c1
InChIInChI=1S/C22H32N2/c1-15-13-17(21(3,4)5)20(18(14-15)22(6,7)8)24-16(2)19-11-9-10-12-23-19/h9-14,16,24H,1-8H3
InChIKeyPSOOPHOFQKWADT-UHFFFAOYSA-N
MW324.51 g/mol
LogP6.16
Rot. Bonds3

About 2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline

2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 20706847) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline
PubChem CID20706847
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline
SMILESCc1cc(C(C)(C)C)c(NC(C)c2ccccn2)c(C(C)(C)C)c1
InChIInChI=1S/C22H32N2/c1-15-13-17(21(3,4)5)20(18(14-15)22(6,7)8)24-16(2)19-11-9-10-12-23-19/h9-14,16,24H,1-8H3
InChIKeyPSOOPHOFQKWADT-UHFFFAOYSA-N
XLogP6.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549
5-methyl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 115922253
2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline
CID 139459217
1-methyl-N-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 62132755
4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524351
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43181287
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline
CID 43682397
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline (CID 20706847) is 2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline is Cc1cc(C(C)(C)C)c(NC(C)c2ccccn2)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is PSOOPHOFQKWADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-15-13-17(21(3,4)5)20(18(14-15)22(6,7)8)24-16(2)19-11-9-10-12-23-19/h9-14,16,24H,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline?
2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline has a molecular weight of 324.51 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 20706847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).