2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine

C16H17Cl2NO — CID 63459198

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
SMILESCc1cc(OC(CN)c2cccc(Cl)c2)cc(C)c1Cl
InChIInChI=1S/C16H17Cl2NO/c1-10-6-14(7-11(2)16(10)18)20-15(9-19)12-4-3-5-13(17)8-12/h3-8,15H,9,19H2,1-2H3
InChIKeyWKZPDVFLQBFSGI-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.69
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine

2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine (PubChem CID 63459198) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
PubChem CID63459198
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
SMILESCc1cc(OC(CN)c2cccc(Cl)c2)cc(C)c1Cl
InChIInChI=1S/C16H17Cl2NO/c1-10-6-14(7-11(2)16(10)18)20-15(9-19)12-4-3-5-13(17)8-12/h3-8,15H,9,19H2,1-2H3
InChIKeyWKZPDVFLQBFSGI-UHFFFAOYSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63458293
2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
CID 55019513
2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
CID 55019612
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229
2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724920
2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
CID 55015152
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250
2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
CID 114208280
[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol
CID 107742711
2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586
2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
CID 55020468

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine (CID 63459198) is 2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine is Cc1cc(OC(CN)c2cccc(Cl)c2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine?
The InChIKey is WKZPDVFLQBFSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-6-14(7-11(2)16(10)18)20-15(9-19)12-4-3-5-13(17)8-12/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine?
2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 63459198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).