N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine

C15H14Cl2FN — CID 43492851

IUPACN-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-2-19-15(10-4-3-5-12(18)8-10)11-6-7-13(16)14(17)9-11/h3-9,15,19H,2H2,1H3
InChIKeyASRFCQYATRZFPU-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.83
Rot. Bonds4

About N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine

N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine (PubChem CID 43492851) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
PubChem CID43492851
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC NameN-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-2-19-15(10-4-3-5-12(18)8-10)11-6-7-13(16)14(17)9-11/h3-9,15,19H,2H2,1H3
InChIKeyASRFCQYATRZFPU-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 115792045
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992930
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107994577
N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210647

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine (CID 43492851) is N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine is CCNC(c1cccc(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine?
The InChIKey is ASRFCQYATRZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-2-19-15(10-4-3-5-12(18)8-10)11-6-7-13(16)14(17)9-11/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine?
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43492851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).