4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol

C21H30N2O2 — CID 70157537

IUPAC4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol
SMILESCOc1ccncc1C(N)c1c(C(C)(C)C)cc(O)cc1C(C)(C)C
InChIInChI=1S/C21H30N2O2/c1-20(2,3)15-10-13(24)11-16(21(4,5)6)18(15)19(22)14-12-23-9-8-17(14)25-7/h8-12,19,24H,22H2,1-7H3
InChIKeyBRRQPJWAJGRBQW-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.44
Rot. Bonds3

About 4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol

4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol (PubChem CID 70157537) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol.

Molecular Properties

Compound Name4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol
PubChem CID70157537
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol
SMILESCOc1ccncc1C(N)c1c(C(C)(C)C)cc(O)cc1C(C)(C)C
InChIInChI=1S/C21H30N2O2/c1-20(2,3)15-10-13(24)11-16(21(4,5)6)18(15)19(22)14-12-23-9-8-17(14)25-7/h8-12,19,24H,22H2,1-7H3
InChIKeyBRRQPJWAJGRBQW-UHFFFAOYSA-N
XLogP4.44
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-3-pyridinyl)propan-2-ol
CID 115009163
1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 130565658
3-(4-tert-butyl-2,5-dimethoxyphenyl)-4-methoxypyridine
CID 54187127
2-tert-butyl-6-methoxybenzene-1,4-diol
CID 121217885
3-[(1R)-1-aminoethyl]-4-methoxyphenol
CID 131197518
ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate
CID 171865897
4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine
CID 177172347
3-chloro-1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 171861827
(4-methoxy-3-pyridinyl)-(2-methylcyclopropyl)methanol
CID 130565651
(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066253
2-(4-methoxy-3-pyridinyl)-2-methylpropanoic acid
CID 115009175
(2-methoxy-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710239

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol?
The IUPAC name of 4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol (CID 70157537) is 4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol.
What is the SMILES notation for 4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol?
The canonical SMILES for 4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol is COc1ccncc1C(N)c1c(C(C)(C)C)cc(O)cc1C(C)(C)C.
What is the InChIKey of 4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol?
The InChIKey is BRRQPJWAJGRBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-20(2,3)15-10-13(24)11-16(21(4,5)6)18(15)19(22)14-12-23-9-8-17(14)25-7/h8-12,19,24H,22H2,1-7H3.
What are the key properties of 4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol?
4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol has a molecular weight of 342.48 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-methoxy-3-pyridinyl)methyl]-3,5-ditert-butylphenol is sourced from PubChem (CID 70157537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).