N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine

C16H15Cl3FN — CID 105397127

IUPACN-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1Cl)c1cc(F)ccc1Cl
InChIInChI=1S/C16H15Cl3FN/c1-2-7-21-16(12-5-3-10(17)8-15(12)19)13-9-11(20)4-6-14(13)18/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyZKZSXXRTXMPNJS-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.87
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine

N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine (PubChem CID 105397127) has the molecular formula C16H15Cl3FN and a molecular weight of 346.66 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
PubChem CID105397127
Molecular FormulaC16H15Cl3FN
Molecular Weight346.66 g/mol
Exact Mass345.03
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1Cl)c1cc(F)ccc1Cl
InChIInChI=1S/C16H15Cl3FN/c1-2-7-21-16(12-5-3-10(17)8-15(12)19)13-9-11(20)4-6-14(13)18/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyZKZSXXRTXMPNJS-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(4-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397412
N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268303
N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497695
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(5-bromo-2-chlorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495638
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045
N-[(2-chloro-3-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 81453210
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine (CID 105397127) is N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1Cl)c1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is ZKZSXXRTXMPNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3FN/c1-2-7-21-16(12-5-3-10(17)8-15(12)19)13-9-11(20)4-6-14(13)18/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 346.66 g/mol, XLogP of 5.87, 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)-(2,4-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 105397127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).