2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine

C16H16Cl3N — CID 63415143

IUPAC2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3N/c1-2-20-15(10-11-6-3-4-8-13(11)17)12-7-5-9-14(18)16(12)19/h3-9,15,20H,2,10H2,1H3
InChIKeyNPGRHVPSJQYVBK-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.54
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine

2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine (PubChem CID 63415143) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
PubChem CID63415143
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3N/c1-2-20-15(10-11-6-3-4-8-13(11)17)12-7-5-9-14(18)16(12)19/h3-9,15,20H,2,10H2,1H3
InChIKeyNPGRHVPSJQYVBK-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63416853
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106856990
2-(2-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 61077645
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106854656
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine (CID 63415143) is 2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine?
The InChIKey is NPGRHVPSJQYVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-2-20-15(10-11-6-3-4-8-13(11)17)12-7-5-9-14(18)16(12)19/h3-9,15,20H,2,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine?
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine has a molecular weight of 328.67 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63415143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).