(3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

C15H17Cl2N2O+ — CID 7228189

IUPAC(3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1
InChIInChI=1S/C15H16Cl2N2O/c1-2-20-15-12(6-13(16)7-14(15)17)10-19-9-11-4-3-5-18-8-11/h3-8,19H,2,9-10H2,1H3/p+1
InChIKeyXPXVCBGJNHXUGO-UHFFFAOYSA-O
MW312.22 g/mol
LogP3.05
Rot. Bonds6

About (3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

(3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (PubChem CID 7228189) has the molecular formula C15H17Cl2N2O+ and a molecular weight of 312.22 g/mol. Its IUPAC name is (3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.

Molecular Properties

Compound Name(3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
PubChem CID7228189
Molecular FormulaC15H17Cl2N2O+
Molecular Weight312.22 g/mol
Exact Mass311.07
IUPAC Name(3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1
InChIInChI=1S/C15H16Cl2N2O/c1-2-20-15-12(6-13(16)7-14(15)17)10-19-9-11-4-3-5-18-8-11/h3-8,19H,2,9-10H2,1H3/p+1
InChIKeyXPXVCBGJNHXUGO-UHFFFAOYSA-O
XLogP3.05
TPSA38.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63264977
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
N-[[3,5-dichloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43515745
(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090046
[3-chloro-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(pyridin-3-ylmethyl)azanium
CID 4137204
bis(pyridin-3-ylmethyl)azanium
CID 6946562
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 90485938
(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4086182
(5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium
CID 7228232
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
CID 163328823
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997010
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228103

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The IUPAC name of (3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (CID 7228189) is (3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.
What is the SMILES notation for (3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The canonical SMILES for (3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is CCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1.
What is the InChIKey of (3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The InChIKey is XPXVCBGJNHXUGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16Cl2N2O/c1-2-20-15-12(6-13(16)7-14(15)17)10-19-9-11-4-3-5-18-8-11/h3-8,19H,2,9-10H2,1H3/p+1.
What are the key properties of (3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
(3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium has a molecular weight of 312.22 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is sourced from PubChem (CID 7228189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).