N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine

C17H19ClFN — CID 105396813

IUPACN-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)c1ccccc1CC
InChIInChI=1S/C17H19ClFN/c1-3-12-7-5-6-8-14(12)17(20-4-2)15-11-13(19)9-10-16(15)18/h5-11,17,20H,3-4H2,1-2H3
InChIKeySKFIRUUACVBABN-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.74
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine

N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine (PubChem CID 105396813) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
PubChem CID105396813
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)c1ccccc1CC
InChIInChI=1S/C17H19ClFN/c1-3-12-7-5-6-8-14(12)17(20-4-2)15-11-13(19)9-10-16(15)18/h5-11,17,20H,3-4H2,1-2H3
InChIKeySKFIRUUACVBABN-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852479
N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 105397345
N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
CID 107103191
N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105397113
N-[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105396957
N-[(2-chloro-4,5-difluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 107476507
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969347
N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine
CID 107515358
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 115801024
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine (CID 105396813) is N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1Cl)c1ccccc1CC.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine?
The InChIKey is SKFIRUUACVBABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-12-7-5-6-8-14(12)17(20-4-2)15-11-13(19)9-10-16(15)18/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine?
N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 105396813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).