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

C17H18Cl2FN — CID 43760641

IUPAC1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(NCCc1ccccc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2FN/c1-2-17(13-7-8-14(18)15(19)11-13)21-10-9-12-5-3-4-6-16(12)20/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeySCCPDFDSHCEHRC-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.42
Rot. Bonds6

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

1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 43760641) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID43760641
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(NCCc1ccccc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2FN/c1-2-17(13-7-8-14(18)15(19)11-13)21-10-9-12-5-3-4-6-16(12)20/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeySCCPDFDSHCEHRC-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

1-(2,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43503310
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 63449080
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 43760653
N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 43108094
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757507
N-[2-(2-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43095856
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
4-[1-(3,4-dichlorophenyl)propylamino]butanamide
CID 60863213

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine (CID 43760641) is 1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine is CCC(NCCc1ccccc1F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is SCCPDFDSHCEHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-2-17(13-7-8-14(18)15(19)11-13)21-10-9-12-5-3-4-6-16(12)20/h3-8,11,17,21H,2,9-10H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine?
1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)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 1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43760641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).