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

C17H19ClFN — CID 115994193

IUPACN-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NC(C)c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C17H19ClFN/c1-3-17(15-6-4-5-7-16(15)19)20-12(2)13-8-10-14(18)11-9-13/h4-12,17,20H,3H2,1-2H3
InChIKeyOKZDNZZJOBSYSF-UHFFFAOYSA-N
MW291.80 g/mol
LogP5.28
Rot. Bonds5

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

N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine (PubChem CID 115994193) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
PubChem CID115994193
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NC(C)c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C17H19ClFN/c1-3-17(15-6-4-5-7-16(15)19)20-12(2)13-8-10-14(18)11-9-13/h4-12,17,20H,3H2,1-2H3
InChIKeyOKZDNZZJOBSYSF-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.80
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 103949479
1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 63449080
1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 112676995
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine (CID 115994193) is N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine is CCC(NC(C)c1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is OKZDNZZJOBSYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-17(15-6-4-5-7-16(15)19)20-12(2)13-8-10-14(18)11-9-13/h4-12,17,20H,3H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine?
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 115994193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).