N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine

C15H13Cl2F2N — CID 63502767

IUPACN-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F2N/c1-2-20-15(9-5-11(18)8-12(19)6-9)13-4-3-10(16)7-14(13)17/h3-8,15,20H,2H2,1H3
InChIKeyHOPACXWLDSQHRI-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.97
Rot. Bonds4

About N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine

N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine (PubChem CID 63502767) has the molecular formula C15H13Cl2F2N and a molecular weight of 316.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
PubChem CID63502767
Molecular FormulaC15H13Cl2F2N
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC NameN-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F2N/c1-2-20-15(9-5-11(18)8-12(19)6-9)13-4-3-10(16)7-14(13)17/h3-8,15,20H,2H2,1H3
InChIKeyHOPACXWLDSQHRI-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992938
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457
N-[(2-bromo-4-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107994518
N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487938
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992930
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
N-[(5-chloro-2-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 114886624
N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62790553
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62944886
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine (CID 63502767) is N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine is CCNC(c1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine?
The InChIKey is HOPACXWLDSQHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N/c1-2-20-15(9-5-11(18)8-12(19)6-9)13-4-3-10(16)7-14(13)17/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine?
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine has a molecular weight of 316.18 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 63502767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).