N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine

C16H15Cl3FN — CID 43760653

IUPACN-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
SMILESCC(NCCc1ccccc1F)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C16H15Cl3FN/c1-10(12-6-7-13(17)16(19)15(12)18)21-9-8-11-4-2-3-5-14(11)20/h2-7,10,21H,8-9H2,1H3
InChIKeyDAJIROZKXVEPCE-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.68
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine

N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine (PubChem CID 43760653) has the molecular formula C16H15Cl3FN and a molecular weight of 346.66 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
PubChem CID43760653
Molecular FormulaC16H15Cl3FN
Molecular Weight346.66 g/mol
Exact Mass345.03
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
SMILESCC(NCCc1ccccc1F)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C16H15Cl3FN/c1-10(12-6-7-13(17)16(19)15(12)18)21-9-8-11-4-2-3-5-14(11)20/h2-7,10,21H,8-9H2,1H3
InChIKeyDAJIROZKXVEPCE-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.68
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-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 43193148
N-[2-(2-fluorophenyl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43097346
1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79756688
N-[2-(2-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43095856
1-(2,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43503310
1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43760641
4-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]pentan-1-amine
CID 63452553
N',N'-dimethyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propane-1,3-diamine
CID 43764699
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43100538
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106038911
1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259982
2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137737

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine (CID 43760653) is N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine is CC(NCCc1ccccc1F)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine?
The InChIKey is DAJIROZKXVEPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3FN/c1-10(12-6-7-13(17)16(19)15(12)18)21-9-8-11-4-2-3-5-14(11)20/h2-7,10,21H,8-9H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine?
N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine has a molecular weight of 346.66 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine is sourced from PubChem (CID 43760653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).