1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine

C16H16ClF2N — CID 103039897

IUPAC1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)c(Cl)c1)Cc1ccccc1F
InChIInChI=1S/C16H16ClF2N/c1-20-13(10-12-4-2-3-5-15(12)18)8-11-6-7-16(19)14(17)9-11/h2-7,9,13,20H,8,10H2,1H3
InChIKeyRVHRXLJAXRFGKG-UHFFFAOYSA-N
MW295.76 g/mol
LogP3.99
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine

1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 103039897) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
PubChem CID103039897
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)c(Cl)c1)Cc1ccccc1F
InChIInChI=1S/C16H16ClF2N/c1-20-13(10-12-4-2-3-5-15(12)18)8-11-6-7-16(19)14(17)9-11/h2-7,9,13,20H,8,10H2,1H3
InChIKeyRVHRXLJAXRFGKG-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine (CID 103039897) is 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(F)c(Cl)c1)Cc1ccccc1F.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is RVHRXLJAXRFGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-20-13(10-12-4-2-3-5-15(12)18)8-11-6-7-16(19)14(17)9-11/h2-7,9,13,20H,8,10H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine?
1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 295.76 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 103039897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).