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

C16H15Cl4N — CID 107311750

IUPAC1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl4N/c1-2-21-14(11-6-4-8-13(18)16(11)20)9-10-5-3-7-12(17)15(10)19/h3-8,14,21H,2,9H2,1H3
InChIKeyFRVILNXOHAVOQD-UHFFFAOYSA-N
MW363.12 g/mol
LogP6.19
Rot. Bonds5

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

1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine (PubChem CID 107311750) has the molecular formula C16H15Cl4N and a molecular weight of 363.12 g/mol. Its IUPAC name is 1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
PubChem CID107311750
Molecular FormulaC16H15Cl4N
Molecular Weight363.12 g/mol
Exact Mass361.00
IUPAC Name1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl4N/c1-2-21-14(11-6-4-8-13(18)16(11)20)9-10-5-3-7-12(17)15(10)19/h3-8,14,21H,2,9H2,1H3
InChIKeyFRVILNXOHAVOQD-UHFFFAOYSA-N
XLogP6.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.12
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
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-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 107308628
1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107312331
1-(2-bromo-4-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309221
1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 55115861
1-(3-chloro-4-iodophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107312112

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine (CID 107311750) is 1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine?
The InChIKey is FRVILNXOHAVOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl4N/c1-2-21-14(11-6-4-8-13(18)16(11)20)9-10-5-3-7-12(17)15(10)19/h3-8,14,21H,2,9H2,1H3.
What are the key properties of 1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine?
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine has a molecular weight of 363.12 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 107311750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).