1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine

C16H16Cl2FN — CID 63417255

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2FN/c1-2-20-15(10-11-5-3-6-12(19)9-11)13-7-4-8-14(17)16(13)18/h3-9,15,20H,2,10H2,1H3
InChIKeyKIXDLYRVJDLLOB-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.03
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine

1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine (PubChem CID 63417255) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
PubChem CID63417255
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2FN/c1-2-20-15(10-11-5-3-6-12(19)9-11)13-7-4-8-14(17)16(13)18/h3-9,15,20H,2,10H2,1H3
InChIKeyKIXDLYRVJDLLOB-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 115818794
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43562110
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63420154
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
N-[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63528797
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine (CID 63417255) is 1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine is CCNC(Cc1cccc(F)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The InChIKey is KIXDLYRVJDLLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-2-20-15(10-11-5-3-6-12(19)9-11)13-7-4-8-14(17)16(13)18/h3-9,15,20H,2,10H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine has a molecular weight of 312.22 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 63417255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).