2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine

C16H18ClNO — CID 81166256

IUPAC2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
SMILESCc1cccc(Oc2ccc(CCN)cc2Cl)c1C
InChIInChI=1S/C16H18ClNO/c1-11-4-3-5-15(12(11)2)19-16-7-6-13(8-9-18)10-14(16)17/h3-7,10H,8-9,18H2,1-2H3
InChIKeyAZEPYPCCMCEEET-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.25
Rot. Bonds4

About 2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine

2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine (PubChem CID 81166256) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
PubChem CID81166256
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
SMILESCc1cccc(Oc2ccc(CCN)cc2Cl)c1C
InChIInChI=1S/C16H18ClNO/c1-11-4-3-5-15(12(11)2)19-16-7-6-13(8-9-18)10-14(16)17/h3-7,10H,8-9,18H2,1-2H3
InChIKeyAZEPYPCCMCEEET-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine 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-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine
CID 81160082
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
CID 62910856
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401
2-[6-(2,3-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 80640428
2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 81160567
2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine
CID 22684363
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
CID 62912366
2-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63941559
1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene
CID 107086782

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine (CID 81166256) is 2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine is Cc1cccc(Oc2ccc(CCN)cc2Cl)c1C.
What is the InChIKey of 2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine?
The InChIKey is AZEPYPCCMCEEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-4-3-5-15(12(11)2)19-16-7-6-13(8-9-18)10-14(16)17/h3-7,10H,8-9,18H2,1-2H3.
What are the key properties of 2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine?
2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 81166256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).