N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine

C16H15Cl2F2N — CID 115859906

IUPACN-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C16H15Cl2F2N/c1-2-6-21-16(10-7-11(17)9-12(18)8-10)15-13(19)4-3-5-14(15)20/h3-5,7-9,16,21H,2,6H2,1H3
InChIKeyVILDDLFBIHVMCL-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.36
Rot. Bonds5

About N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine

N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine (PubChem CID 115859906) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
PubChem CID115859906
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC NameN-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C16H15Cl2F2N/c1-2-6-21-16(10-7-11(17)9-12(18)8-10)15-13(19)4-3-5-14(15)20/h3-5,7-9,16,21H,2,6H2,1H3
InChIKeyVILDDLFBIHVMCL-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 43497673
1-(3,5-dichlorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859907
N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945874
N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 115859755
N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130464
N-[(2-chloro-6-fluorophenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991614
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114887409
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494722
N-[(2,6-difluoro-3-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 105027074
N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 103444844
N-[(2-bromo-6-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 114558967

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine (CID 115859906) is N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine is CCCNC(c1cc(Cl)cc(Cl)c1)c1c(F)cccc1F.
What is the InChIKey of N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The InChIKey is VILDDLFBIHVMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-2-6-21-16(10-7-11(17)9-12(18)8-10)15-13(19)4-3-5-14(15)20/h3-5,7-9,16,21H,2,6H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine has a molecular weight of 330.21 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115859906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).