1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C13H16Cl2F3NO — CID 63827650

IUPAC1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCC(NCCOCC(F)(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2F3NO/c1-2-12(10-4-3-9(14)7-11(10)15)19-5-6-20-8-13(16,17)18/h3-4,7,12,19H,2,5-6,8H2,1H3
InChIKeyPLFDXPWDWVULKV-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.61
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 63827650) has the molecular formula C13H16Cl2F3NO and a molecular weight of 330.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID63827650
Molecular FormulaC13H16Cl2F3NO
Molecular Weight330.18 g/mol
Exact Mass329.06
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCC(NCCOCC(F)(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2F3NO/c1-2-12(10-4-3-9(14)7-11(10)15)19-5-6-20-8-13(16,17)18/h3-4,7,12,19H,2,5-6,8H2,1H3
InChIKeyPLFDXPWDWVULKV-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine
CID 107094120
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
CID 113450027
N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
CID 82799478
1-(2,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43503310
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
N-[(2,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55032016
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63828903
N-[1-(2-chloro-4-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207420

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 63827650) is 1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCC(NCCOCC(F)(F)F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is PLFDXPWDWVULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2F3NO/c1-2-12(10-4-3-9(14)7-11(10)15)19-5-6-20-8-13(16,17)18/h3-4,7,12,19H,2,5-6,8H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 330.18 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63827650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).