N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine

C16H15Cl3FN — CID 82874215

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

About N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine

N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine (PubChem CID 82874215) has the molecular formula C16H15Cl3FN and a molecular weight of 346.66 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
PubChem CID82874215
Molecular FormulaC16H15Cl3FN
Molecular Weight346.66 g/mol
Exact Mass345.03
IUPAC NameN-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl3FN/c1-2-7-21-16(10-3-6-15(20)14(19)8-10)12-5-4-11(17)9-13(12)18/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeySSOYUELEFJOUEB-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-[(2,4-dichlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 63504122
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63418754
N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 63502964
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672
N-[(3-chloro-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 82875567
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(3-chloro-4-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63087158
N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045
N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302959
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine (CID 82874215) is N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is SSOYUELEFJOUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3FN/c1-2-7-21-16(10-3-6-15(20)14(19)8-10)12-5-4-11(17)9-13(12)18/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
N-[(3-chloro-4-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-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 82874215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).