3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine

C16H18Cl2N2O — CID 83975851

IUPAC3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
SMILESCCOc1c(Cl)cc(CC(CN)c2ccccn2)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-2-21-16-13(17)8-11(9-14(16)18)7-12(10-19)15-5-3-4-6-20-15/h3-6,8-9,12H,2,7,10,19H2,1H3
InChIKeyABAMKBXWNXHZTN-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.07
Rot. Bonds6

About 3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine

3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine (PubChem CID 83975851) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
PubChem CID83975851
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
SMILESCCOc1c(Cl)cc(CC(CN)c2ccccn2)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-2-21-16-13(17)8-11(9-14(16)18)7-12(10-19)15-5-3-4-6-20-15/h3-6,8-9,12H,2,7,10,19H2,1H3
InChIKeyABAMKBXWNXHZTN-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine 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-(4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 112509068
4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol
CID 83975838
4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
CID 83975818
3-(3-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 82080996
3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975865
3-(4-bromophenyl)-2-pyridin-2-ylpropan-1-amine
CID 82094286
3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine
CID 83975870
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975945
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 112538807
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520
4-chloro-3-pyridin-2-ylbutan-1-amine
CID 152778918
2-(2-chlorophenyl)-2-pyridin-2-ylethanamine
CID 82044086

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine (CID 83975851) is 3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine is CCOc1c(Cl)cc(CC(CN)c2ccccn2)cc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine?
The InChIKey is ABAMKBXWNXHZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-2-21-16-13(17)8-11(9-14(16)18)7-12(10-19)15-5-3-4-6-20-15/h3-6,8-9,12H,2,7,10,19H2,1H3.
What are the key properties of 3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine?
3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine has a molecular weight of 325.24 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 83975851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).