N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine

C15H14Cl2FN — CID 63428426

IUPACN-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C15H14Cl2FN/c1-2-19-9-11-7-10(3-6-15(11)18)13-5-4-12(16)8-14(13)17/h3-8,19H,2,9H2,1H3
InChIKeyCNPZHSRSEBWUJM-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.91
Rot. Bonds4

About N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine

N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine (PubChem CID 63428426) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
PubChem CID63428426
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC NameN-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C15H14Cl2FN/c1-2-19-9-11-7-10(3-6-15(11)18)13-5-4-12(16)8-14(13)17/h3-8,19H,2,9H2,1H3
InChIKeyCNPZHSRSEBWUJM-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine
CID 115482556
N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032524
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63428118
N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine
CID 103341614
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 116810961

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine (CID 63428426) is N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine is CCNCc1cc(-c2ccc(Cl)cc2Cl)ccc1F.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine?
The InChIKey is CNPZHSRSEBWUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-2-19-9-11-7-10(3-6-15(11)18)13-5-4-12(16)8-14(13)17/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine?
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 63428426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).