N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine

C17H18Cl2FN — CID 43494761

IUPACN-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2FN/c1-2-10-21-17(12-6-8-13(18)9-7-12)11-14-15(19)4-3-5-16(14)20/h3-9,17,21H,2,10-11H2,1H3
InChIKeyBCSLWXZYRSCLMC-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.42
Rot. Bonds6

About N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine

N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine (PubChem CID 43494761) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
PubChem CID43494761
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2FN/c1-2-10-21-17(12-6-8-13(18)9-7-12)11-14-15(19)4-3-5-16(14)20/h3-9,17,21H,2,10-11H2,1H3
InChIKeyBCSLWXZYRSCLMC-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 43484891
3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400193
N-[2-(2-chloro-6-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 63556149
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 61079881
N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497746
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114650375
N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105105691
N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974962
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 81293136
2-(2-chloro-6-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486472
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine (CID 43494761) is N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1c(F)cccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine?
The InChIKey is BCSLWXZYRSCLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-2-10-21-17(12-6-8-13(18)9-7-12)11-14-15(19)4-3-5-16(14)20/h3-9,17,21H,2,10-11H2,1H3.
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine?
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine has a molecular weight of 326.24 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43494761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).