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

C16H16Cl2FN — CID 115983710

IUPAC1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccccc1Cl)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H16Cl2FN/c1-20-13(9-11-5-2-3-7-14(11)17)10-12-6-4-8-15(19)16(12)18/h2-8,13,20H,9-10H2,1H3
InChIKeyPNKIPPVXUPKTMO-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.51
Rot. Bonds5

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

1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine (PubChem CID 115983710) has the molecular formula C16H16Cl2FN and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
PubChem CID115983710
Molecular FormulaC16H16Cl2FN
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccccc1Cl)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H16Cl2FN/c1-20-13(9-11-5-2-3-7-14(11)17)10-12-6-4-8-15(19)16(12)18/h2-8,13,20H,9-10H2,1H3
InChIKeyPNKIPPVXUPKTMO-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.51
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-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 115983713
1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 112653814
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 107884614
1-(2-chlorophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 104793876
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 106867049
1-(3-bromo-4-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 63414842
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
[1-(2-chloro-3-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215908

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine (CID 115983710) is 1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccccc1Cl)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The InChIKey is PNKIPPVXUPKTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-20-13(9-11-5-2-3-7-14(11)17)10-12-6-4-8-15(19)16(12)18/h2-8,13,20H,9-10H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine has a molecular weight of 312.21 g/mol, XLogP of 4.51, 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-chlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 115983710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).