N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine

C16H16Cl2FN — CID 43494722

IUPACN-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-2-10-20-16(11-6-8-12(19)9-7-11)15-13(17)4-3-5-14(15)18/h3-9,16,20H,2,10H2,1H3
InChIKeyGJCFAFNTIKJIBN-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.22
Rot. Bonds5

About N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine

N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine (PubChem CID 43494722) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
PubChem CID43494722
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC NameN-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-2-10-20-16(11-6-8-12(19)9-7-11)15-13(17)4-3-5-14(15)18/h3-9,16,20H,2,10H2,1H3
InChIKeyGJCFAFNTIKJIBN-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114558952
N-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64715077
N-[(2-chloro-6-fluorophenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991614
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021
N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 115859906
N-[(4-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 79214264
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine (CID 43494722) is N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The InChIKey is GJCFAFNTIKJIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-2-10-20-16(11-6-8-12(19)9-7-11)15-13(17)4-3-5-14(15)18/h3-9,16,20H,2,10H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine?
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine has a molecular weight of 312.22 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43494722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).