1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine

C16H15Cl3FN — CID 115983713

IUPAC1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1Cl)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl3FN/c1-21-11(8-10-4-2-7-15(20)16(10)19)9-12-13(17)5-3-6-14(12)18/h2-7,11,21H,8-9H2,1H3
InChIKeyUSBHZBFARHFDMO-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.16
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine

1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine (PubChem CID 115983713) has the molecular formula C16H15Cl3FN and a molecular weight of 346.66 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
PubChem CID115983713
Molecular FormulaC16H15Cl3FN
Molecular Weight346.66 g/mol
Exact Mass345.03
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1Cl)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl3FN/c1-21-11(8-10-4-2-7-15(20)16(10)19)9-12-13(17)5-3-6-14(12)18/h2-7,11,21H,8-9H2,1H3
InChIKeyUSBHZBFARHFDMO-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
[1-(2-chloro-3-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215908
1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 112653814
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176029
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114932067
1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
CID 63022661

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine (CID 115983713) is 1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine is CNC(Cc1cccc(F)c1Cl)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine?
The InChIKey is USBHZBFARHFDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3FN/c1-21-11(8-10-4-2-7-15(20)16(10)19)9-12-13(17)5-3-6-14(12)18/h2-7,11,21H,8-9H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine?
1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine has a molecular weight of 346.66 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 115983713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).