2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol

C28H37N3O — CID 15886611

IUPAC2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
SMILESCc1cccc(CN(Cc2ccccn2)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1
InChIInChI=1S/C28H37N3O/c1-20-11-10-13-24(30-20)19-31(18-23-12-8-9-14-29-23)17-21-15-22(27(2,3)4)16-25(26(21)32)28(5,6)7/h8-16,32H,17-19H2,1-7H3
InChIKeyWTPIWOQLGRPKRC-UHFFFAOYSA-N
MW431.62 g/mol
LogP6.29
Rot. Bonds6

About 2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol

2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol (PubChem CID 15886611) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
PubChem CID15886611
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC Name2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
SMILESCc1cccc(CN(Cc2ccccn2)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1
InChIInChI=1S/C28H37N3O/c1-20-11-10-13-24(30-20)19-31(18-23-12-8-9-14-29-23)17-21-15-22(27(2,3)4)16-25(26(21)32)28(5,6)7/h8-16,32H,17-19H2,1-7H3
InChIKeyWTPIWOQLGRPKRC-UHFFFAOYSA-N
XLogP6.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
NoName_714
CID 135489221
5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
3-Pyridinol, 5-benzyl-2-(piperidinomethyl)-
CID 744728
2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
4-(Pyridin-2-ylmethyl)phenol
CID 603599
4-Methyl-2-[(quinolin-3-ylamino)methyl]phenol
CID 951116
1-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2396090
5-[(4-Methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride
CID 44522341
2,6-Bis(tert-butyl)-4-(morpholin-4-yl-2-pyridylmethyl)phenol
CID 4016538

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol (CID 15886611) is 2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol is Cc1cccc(CN(Cc2ccccn2)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1.
What is the InChIKey of 2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol?
The InChIKey is WTPIWOQLGRPKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O/c1-20-11-10-13-24(30-20)19-31(18-23-12-8-9-14-29-23)17-21-15-22(27(2,3)4)16-25(26(21)32)28(5,6)7/h8-16,32H,17-19H2,1-7H3.
What are the key properties of 2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol?
2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol has a molecular weight of 431.62 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[[(6-methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 15886611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).