1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride

C17H23ClN2O2 — CID 6473316

IUPAC1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
SMILESCCOc1ccc(CNCc2cccnc2)cc1OCC.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-3-20-16-8-7-14(10-17(16)21-4-2)11-19-13-15-6-5-9-18-12-15;/h5-10,12,19H,3-4,11,13H2,1-2H3;1H
InChIKeyIJHYFVMAXYYCMN-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.59
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride

1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride (PubChem CID 6473316) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
PubChem CID6473316
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
SMILESCCOc1ccc(CNCc2cccnc2)cc1OCC.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-3-20-16-8-7-14(10-17(16)21-4-2)11-19-13-15-6-5-9-18-12-15;/h5-10,12,19H,3-4,11,13H2,1-2H3;1H
InChIKeyIJHYFVMAXYYCMN-UHFFFAOYSA-N
XLogP3.59
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 17054958
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 6473319
1-(3-bromo-4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 17157332
1-(3-butoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39423559
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66534062
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 4717383
N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 38050827
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17289288
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 17289276

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride (CID 6473316) is 1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride is CCOc1ccc(CNCc2cccnc2)cc1OCC.Cl.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride?
The InChIKey is IJHYFVMAXYYCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-3-20-16-8-7-14(10-17(16)21-4-2)11-19-13-15-6-5-9-18-12-15;/h5-10,12,19H,3-4,11,13H2,1-2H3;1H.
What are the key properties of 1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride?
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 6473316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).