2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride

C15H21ClN2O2 — CID 6603362

IUPAC2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride
SMILESCCc1nc(C)cc(N)c1OCc1ccccc1.Cl.O
InChIInChI=1S/C15H18N2O.ClH.H2O/c1-3-14-15(13(16)9-11(2)17-14)18-10-12-7-5-4-6-8-12;;/h4-9H,3,10H2,1-2H3,(H2,16,17);1H;1H2
InChIKeyHNNIWIRESFREJW-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.71
Rot. Bonds4

About 2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride

2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride (PubChem CID 6603362) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride.

Molecular Properties

Compound Name2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride
PubChem CID6603362
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride
SMILESCCc1nc(C)cc(N)c1OCc1ccccc1.Cl.O
InChIInChI=1S/C15H18N2O.ClH.H2O/c1-3-14-15(13(16)9-11(2)17-14)18-10-12-7-5-4-6-8-12;;/h4-9H,3,10H2,1-2H3,(H2,16,17);1H;1H2
InChIKeyHNNIWIRESFREJW-UHFFFAOYSA-N
XLogP2.71
TPSA79.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride?
The IUPAC name of 2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride (CID 6603362) is 2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride.
What is the SMILES notation for 2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride?
The canonical SMILES for 2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride is CCc1nc(C)cc(N)c1OCc1ccccc1.Cl.O.
What is the InChIKey of 2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride?
The InChIKey is HNNIWIRESFREJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.ClH.H2O/c1-3-14-15(13(16)9-11(2)17-14)18-10-12-7-5-4-6-8-12;;/h4-9H,3,10H2,1-2H3,(H2,16,17);1H;1H2.
What are the key properties of 2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride?
2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-3-phenylmethoxypyridin-4-amine;hydrate;hydrochloride is sourced from PubChem (CID 6603362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).