2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine

C16H15Cl2F2N — CID 115523434

IUPAC2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)c1ccc(CNCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2F2N/c17-14-6-5-12(15(18)9-14)7-8-21-10-11-1-3-13(4-2-11)16(19)20/h1-6,9,16,21H,7-8,10H2
InChIKeyYCNUIEDOIABBHU-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.26
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine

2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine (PubChem CID 115523434) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
PubChem CID115523434
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC Name2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)c1ccc(CNCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2F2N/c17-14-6-5-12(15(18)9-14)7-8-21-10-11-1-3-13(4-2-11)16(19)20/h1-6,9,16,21H,7-8,10H2
InChIKeyYCNUIEDOIABBHU-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 114452144
4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17209952
N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115523424
N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 103602762
2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399352
2-[4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]phenoxy]acetic acid;hydrochloride
CID 17209910
4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol
CID 61237272
2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714746
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209609

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine (CID 115523434) is 2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine is FC(F)c1ccc(CNCCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is YCNUIEDOIABBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c17-14-6-5-12(15(18)9-14)7-8-21-10-11-1-3-13(4-2-11)16(19)20/h1-6,9,16,21H,7-8,10H2.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 330.21 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 115523434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).