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

C17H18Cl2FN — CID 63449080

IUPAC1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccccc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-17(12-8-9-14(18)15(19)10-12)21-11(2)13-6-4-5-7-16(13)20/h4-11,17,21H,3H2,1-2H3
InChIKeyKPGXKFOIQMGYSZ-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.93
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 63449080) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID63449080
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccccc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-17(12-8-9-14(18)15(19)10-12)21-11(2)13-6-4-5-7-16(13)20/h4-11,17,21H,3H2,1-2H3
InChIKeyKPGXKFOIQMGYSZ-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43760641
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
1-(3,4-dichlorophenyl)-N-(1-phenylpropan-2-yl)propan-1-amine
CID 63462746
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 43680852
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 82964918
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine (CID 63449080) is 1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine is CCC(NC(C)c1ccccc1F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is KPGXKFOIQMGYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-3-17(12-8-9-14(18)15(19)10-12)21-11(2)13-6-4-5-7-16(13)20/h4-11,17,21H,3H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine?
1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 326.24 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63449080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).