2-({4-[(6-Chloro-3-pyridinyl)methoxy]-3-methoxybenzyl}amino)-2-methyl-1-propanol
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Basic information
- CAS
875005-31-5- Standard SMILES
COc1cc(CNC(C)(C)CO)ccc1OCc1ccc(Cl)nc1- InChIKey
FPAGGKIXNAXBKM-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2O3
- Average molar mass
- 350.8 g/mol
- Monoisotopic mass
- 350.1397203
Names & identifiers
- Preferred name
- 2-({4-[(6-Chloro-3-pyridinyl)methoxy]-3-methoxybenzyl}amino)-2-methyl-1-propanol
- IUPAC
- 2-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol
- English name
- 2-({4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzyl}amino)-2-methyl-1-propanol
- Molecular formula
- C18H23ClN2O3
- Molecular weight
- 350.84
Names & synonyms
2-({4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzyl}amino)-2-methyl-1-propanolAN-465/42887424STK281328AKOS0014774242-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol2-({4-[(6-chloropyridin-3-yl)methoxy]-3-methoxybenzyl}amino)-2-methylpropan-1-ol2-[4-(6-Chloro-pyridin-3-ylmethoxy)-3-methoxy-benzylamino]-2-methyl-propan-1-ol875005-31-51-Propanol, 2-[[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]amino]-2-methyl-
Database identifiers
- CAS
875005-31-5- PubChem CID
- 4719285
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 516.4 · 516.4±45.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- pka
- 15.54 · 15.54±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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