2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride

C19H27ClN2O — CID 3057338

IUPAC2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride
SMILESCc1ccc(C(C)(OCCN(C)C)c2ccccn2)cc1C.Cl
InChIInChI=1S/C19H26N2O.ClH/c1-15-9-10-17(14-16(15)2)19(3,22-13-12-21(4)5)18-8-6-7-11-20-18;/h6-11,14H,12-13H2,1-5H3;1H
InChIKeySHIGRSAZJLNRBG-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.96
Rot. Bonds6

About 2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride

2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride (PubChem CID 3057338) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride
PubChem CID3057338
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride
SMILESCc1ccc(C(C)(OCCN(C)C)c2ccccn2)cc1C.Cl
InChIInChI=1S/C19H26N2O.ClH/c1-15-9-10-17(14-16(15)2)19(3,22-13-12-21(4)5)18-8-6-7-11-20-18;/h6-11,14H,12-13H2,1-5H3;1H
InChIKeySHIGRSAZJLNRBG-UHFFFAOYSA-N
XLogP3.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride (CID 3057338) is 2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride is Cc1ccc(C(C)(OCCN(C)C)c2ccccn2)cc1C.Cl.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride?
The InChIKey is SHIGRSAZJLNRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.ClH/c1-15-9-10-17(14-16(15)2)19(3,22-13-12-21(4)5)18-8-6-7-11-20-18;/h6-11,14H,12-13H2,1-5H3;1H.
What are the key properties of 2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride?
2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)-1-pyridin-2-ylethoxy]-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 3057338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).