N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride

C16H20Cl2N2O2 — CID 2975229

IUPACN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCCOc1c(Cl)cc(CNCc2ccncc2)cc1OC.Cl
InChIInChI=1S/C16H19ClN2O2.ClH/c1-3-21-16-14(17)8-13(9-15(16)20-2)11-19-10-12-4-6-18-7-5-12;/h4-9,19H,3,10-11H2,1-2H3;1H
InChIKeyJCLDOBGFWWINRX-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.85
Rot. Bonds7

About N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride

N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride (PubChem CID 2975229) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
PubChem CID2975229
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCCOc1c(Cl)cc(CNCc2ccncc2)cc1OC.Cl
InChIInChI=1S/C16H19ClN2O2.ClH/c1-3-21-16-14(17)8-13(9-15(16)20-2)11-19-10-12-4-6-18-7-5-12;/h4-9,19H,3,10-11H2,1-2H3;1H
InChIKeyJCLDOBGFWWINRX-UHFFFAOYSA-N
XLogP3.85
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride (CID 2975229) is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride is CCOc1c(Cl)cc(CNCc2ccncc2)cc1OC.Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The InChIKey is JCLDOBGFWWINRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2.ClH/c1-3-21-16-14(17)8-13(9-15(16)20-2)11-19-10-12-4-6-18-7-5-12;/h4-9,19H,3,10-11H2,1-2H3;1H.
What are the key properties of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride has a molecular weight of 343.25 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 2975229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).