2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine

C14H12Cl3NO — CID 55019612

IUPAC2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
SMILESNCC(Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl3NO/c15-10-4-1-3-9(7-10)13(8-18)19-12-6-2-5-11(16)14(12)17/h1-7,13H,8,18H2
InChIKeyYUCFGVUMOGBJKM-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.73
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine

2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine (PubChem CID 55019612) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
PubChem CID55019612
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
SMILESNCC(Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl3NO/c15-10-4-1-3-9(7-10)13(8-18)19-12-6-2-5-11(16)14(12)17/h1-7,13H,8,18H2
InChIKeyYUCFGVUMOGBJKM-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
CID 55019513
2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63459198
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(3-bromophenyl)-2-(2,4-dichlorophenoxy)ethanamine
CID 55193005
2-(2,3-dichlorophenoxy)-2-(2-methylphenyl)ethanamine
CID 55018621
[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol
CID 107742711
2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724920
2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63458293
2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020668
2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586
2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
CID 55020468
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine (CID 55019612) is 2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine is NCC(Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine?
The InChIKey is YUCFGVUMOGBJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c15-10-4-1-3-9(7-10)13(8-18)19-12-6-2-5-11(16)14(12)17/h1-7,13H,8,18H2.
What are the key properties of 2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine?
2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine has a molecular weight of 316.62 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine is sourced from PubChem (CID 55019612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).