2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine

C16H15ClF3N — CID 62964463

IUPAC2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H15ClF3N/c1-2-21-14(9-10-3-5-11(17)6-4-10)12-7-8-13(18)16(20)15(12)19/h3-8,14,21H,2,9H2,1H3
InChIKeyDDWSSMHUCCUPGR-UHFFFAOYSA-N
MW313.75 g/mol
LogP4.65
Rot. Bonds5

About 2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine

2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 62964463) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID62964463
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H15ClF3N/c1-2-21-14(9-10-3-5-11(17)6-4-10)12-7-8-13(18)16(20)15(12)19/h3-8,14,21H,2,9H2,1H3
InChIKeyDDWSSMHUCCUPGR-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 106762300
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 106762284
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 107513135
1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 82883080
2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990147
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61065176
N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine
CID 55156959
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 63527053
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105025325

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine (CID 62964463) is 2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine is CCNC(Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is DDWSSMHUCCUPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-2-21-14(9-10-3-5-11(17)6-4-10)12-7-8-13(18)16(20)15(12)19/h3-8,14,21H,2,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine?
2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 313.75 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 62964463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).