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

C17H19ClFN — CID 114828300

IUPACN-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-12(9-14-5-3-8-17(19)10-14)20-13(2)15-6-4-7-16(18)11-15/h3-8,10-13,20H,9H2,1-2H3
InChIKeyNOLSETWKERCOSX-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.76
Rot. Bonds5

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

N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine (PubChem CID 114828300) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
PubChem CID114828300
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-12(9-14-5-3-8-17(19)10-14)20-13(2)15-6-4-7-16(18)11-15/h3-8,10-13,20H,9H2,1-2H3
InChIKeyNOLSETWKERCOSX-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine
CID 43694819
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114830222
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 81362729
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
CID 43783490
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine (CID 114828300) is N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine is CC(Cc1cccc(F)c1)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is NOLSETWKERCOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12(9-14-5-3-8-17(19)10-14)20-13(2)15-6-4-7-16(18)11-15/h3-8,10-13,20H,9H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 114828300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).