2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine

C11H15Cl2NO2 — CID 116835620

IUPAC2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine
SMILESCOCC(CN)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-15-6-7(5-14)8-3-10(13)11(16-2)4-9(8)12/h3-4,7H,5-6,14H2,1-2H3
InChIKeyISIBNOQRDQWMFV-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.69
Rot. Bonds5

About 2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine

2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine (PubChem CID 116835620) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine
PubChem CID116835620
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine
SMILESCOCC(CN)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-15-6-7(5-14)8-3-10(13)11(16-2)4-9(8)12/h3-4,7H,5-6,14H2,1-2H3
InChIKeyISIBNOQRDQWMFV-UHFFFAOYSA-N
XLogP2.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-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

2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835574
2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine
CID 82297325
2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine
CID 116835628
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine
CID 116835584
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)ethanethiol
CID 116868616
1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116914633
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine
CID 114752658
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine?
The IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine (CID 116835620) is 2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine?
The canonical SMILES for 2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine is COCC(CN)c1cc(Cl)c(OC)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine?
The InChIKey is ISIBNOQRDQWMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-15-6-7(5-14)8-3-10(13)11(16-2)4-9(8)12/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine?
2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine has a molecular weight of 264.15 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 116835620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).