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

C16H16Cl2FN — CID 107884614

IUPAC1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Cl)c(F)c1)Cc1ccccc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-20-13(10-12-4-2-3-5-14(12)17)8-11-6-7-15(18)16(19)9-11/h2-7,9,13,20H,8,10H2,1H3
InChIKeyRMISSLXZQFDDGR-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.51
Rot. Bonds5

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

1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine (PubChem CID 107884614) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
PubChem CID107884614
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Cl)c(F)c1)Cc1ccccc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-20-13(10-12-4-2-3-5-14(12)17)8-11-6-7-15(18)16(19)9-11/h2-7,9,13,20H,8,10H2,1H3
InChIKeyRMISSLXZQFDDGR-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 ≤ 500312.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 63414842
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 107884509
1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 107884648
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 60819594
1-(4-chloro-3-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 107884766
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 107884603
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
1-(3,4-dichlorophenyl)-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 62196904
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107884855
1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 106867049

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine (CID 107884614) is 1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(Cl)c(F)c1)Cc1ccccc1Cl.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The InChIKey is RMISSLXZQFDDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-20-13(10-12-4-2-3-5-14(12)17)8-11-6-7-15(18)16(19)9-11/h2-7,9,13,20H,8,10H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine has a molecular weight of 312.22 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-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 107884614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).