N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine

C15H14ClF2N — CID 115827914

IUPACN-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1cccc(F)c1Cl
InChIInChI=1S/C15H14ClF2N/c1-2-19-15(10-6-3-4-8-12(10)17)11-7-5-9-13(18)14(11)16/h3-9,15,19H,2H2,1H3
InChIKeyMWPWKZQGDXOCKD-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.32
Rot. Bonds4

About N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine

N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine (PubChem CID 115827914) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
PubChem CID115827914
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC NameN-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1cccc(F)c1Cl
InChIInChI=1S/C15H14ClF2N/c1-2-19-15(10-6-3-4-8-12(10)17)11-7-5-9-13(18)14(11)16/h3-9,15,19H,2H2,1H3
InChIKeyMWPWKZQGDXOCKD-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 81454466
N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81454708
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(2-chloro-3-fluorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851234
N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 81454841
N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 64712464
N-[(3-bromo-2-chlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855252
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine (CID 115827914) is N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine is CCNC(c1ccccc1F)c1cccc(F)c1Cl.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine?
The InChIKey is MWPWKZQGDXOCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-2-19-15(10-6-3-4-8-12(10)17)11-7-5-9-13(18)14(11)16/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine?
N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115827914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).