3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride

C18H26ClN3O — CID 47615971

IUPAC3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride
SMILESCOc1c(C)cc(CNCc2cccnc2N(C)C)cc1C.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-13-9-15(10-14(2)17(13)22-5)11-19-12-16-7-6-8-20-18(16)21(3)4;/h6-10,19H,11-12H2,1-5H3;1H
InChIKeyRILGFQKDDKDZKD-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.48
Rot. Bonds6

About 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride

3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride (PubChem CID 47615971) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride
PubChem CID47615971
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride
SMILESCOc1c(C)cc(CNCc2cccnc2N(C)C)cc1C.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-13-9-15(10-14(2)17(13)22-5)11-19-12-16-7-6-8-20-18(16)21(3)4;/h6-10,19H,11-12H2,1-5H3;1H
InChIKeyRILGFQKDDKDZKD-UHFFFAOYSA-N
XLogP3.48
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride?
The IUPAC name of 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride (CID 47615971) is 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride?
The canonical SMILES for 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride is COc1c(C)cc(CNCc2cccnc2N(C)C)cc1C.Cl.
What is the InChIKey of 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride?
The InChIKey is RILGFQKDDKDZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.ClH/c1-13-9-15(10-14(2)17(13)22-5)11-19-12-16-7-6-8-20-18(16)21(3)4;/h6-10,19H,11-12H2,1-5H3;1H.
What are the key properties of 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride?
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 47615971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).