N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine

C16H16Cl2FN — CID 105016496

IUPACN-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(F)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2FN/c1-3-20-16(11-4-10(2)5-15(19)8-11)12-6-13(17)9-14(18)7-12/h4-9,16,20H,3H2,1-2H3
InChIKeyVSXBAZUELWDKST-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.14
Rot. Bonds4

About N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine

N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 105016496) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID105016496
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC NameN-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(F)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2FN/c1-3-20-16(11-4-10(2)5-15(19)8-11)12-6-13(17)9-14(18)7-12/h4-9,16,20H,3H2,1-2H3
InChIKeyVSXBAZUELWDKST-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
N-[(3,5-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299159
N-[(2,6-dimethyl-4-pyridinyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107503885
[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105325316
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
N-[(2-bromo-4-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107994518
N-[(4-bromo-5-chloro-2-fluorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105398951
N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107516087
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
N-[(4-bromo-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016605
N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 104990354

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine (CID 105016496) is N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(F)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is VSXBAZUELWDKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-3-20-16(11-4-10(2)5-15(19)8-11)12-6-13(17)9-14(18)7-12/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine?
N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 312.22 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 105016496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).