2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol

C33H34N6O — CID 138529941

IUPAC2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol
SMILESCC(C)c1cc(N(Cc2ccccn2)Cc2ccccn2)c(O)c(N(Cc2ccccn2)Cc2ccccn2)c1
InChIInChI=1S/C33H34N6O/c1-25(2)26-19-31(38(21-27-11-3-7-15-34-27)22-28-12-4-8-16-35-28)33(40)32(20-26)39(23-29-13-5-9-17-36-29)24-30-14-6-10-18-37-30/h3-20,25,40H,21-24H2,1-2H3
InChIKeyOXQZTXKUHPGSLQ-UHFFFAOYSA-N
MW530.68 g/mol
LogP6.51
Rot. Bonds11

About 2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol

2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol (PubChem CID 138529941) has the molecular formula C33H34N6O and a molecular weight of 530.68 g/mol. Its IUPAC name is 2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol.

Molecular Properties

Compound Name2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol
PubChem CID138529941
Molecular FormulaC33H34N6O
Molecular Weight530.68 g/mol
Exact Mass530.28
IUPAC Name2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol
SMILESCC(C)c1cc(N(Cc2ccccn2)Cc2ccccn2)c(O)c(N(Cc2ccccn2)Cc2ccccn2)c1
InChIInChI=1S/C33H34N6O/c1-25(2)26-19-31(38(21-27-11-3-7-15-34-27)22-28-12-4-8-16-35-28)33(40)32(20-26)39(23-29-13-5-9-17-36-29)24-30-14-6-10-18-37-30/h3-20,25,40H,21-24H2,1-2H3
InChIKeyOXQZTXKUHPGSLQ-UHFFFAOYSA-N
XLogP6.51
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.68
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol
CID 22223339
4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol
CID 139174160
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
CID 64706979
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol;bis(ethane-1,1-diol);manganese
CID 153499818
copper;N'-(pyridin-2-ylmethyl)-N'-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441251
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
(1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol
CID 55183198
2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-propylphenol;ethane
CID 157384836
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965607

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol?
The IUPAC name of 2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol (CID 138529941) is 2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol.
What is the SMILES notation for 2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol?
The canonical SMILES for 2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol is CC(C)c1cc(N(Cc2ccccn2)Cc2ccccn2)c(O)c(N(Cc2ccccn2)Cc2ccccn2)c1.
What is the InChIKey of 2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol?
The InChIKey is OXQZTXKUHPGSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O/c1-25(2)26-19-31(38(21-27-11-3-7-15-34-27)22-28-12-4-8-16-35-28)33(40)32(20-26)39(23-29-13-5-9-17-36-29)24-30-14-6-10-18-37-30/h3-20,25,40H,21-24H2,1-2H3.
What are the key properties of 2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol?
2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol has a molecular weight of 530.68 g/mol, XLogP of 6.51, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol is sourced from PubChem (CID 138529941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).