N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine

C17H19ClFN — CID 60818258

IUPACN-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C17H19ClFN/c1-2-10-20-17(14-6-8-16(19)9-7-14)12-13-4-3-5-15(18)11-13/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyZGFZGYNUJGFAHB-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.76
Rot. Bonds6

About N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine

N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 60818258) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID60818258
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C17H19ClFN/c1-2-10-20-17(14-6-8-16(19)9-7-14)12-13-4-3-5-15(18)11-13/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyZGFZGYNUJGFAHB-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
N-[2-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414506
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 107884482
2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 63412084
N-[2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43494996
N-[1-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63418437
N-[2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 63418360
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
N-[1-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105373665
N-[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63528797
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 106687887

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine (CID 60818258) is N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is ZGFZGYNUJGFAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-2-10-20-17(14-6-8-16(19)9-7-14)12-13-4-3-5-15(18)11-13/h3-9,11,17,20H,2,10,12H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine?
N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 60818258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).