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

C17H19ClFN — CID 106867049

IUPAC1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccccc1F)Cc1ccc(C)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-12-7-8-13(16(18)9-12)10-15(20-2)11-14-5-3-4-6-17(14)19/h3-9,15,20H,10-11H2,1-2H3
InChIKeyRHPCRJAILCIOGJ-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.16
Rot. Bonds5

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

1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 106867049) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
PubChem CID106867049
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccccc1F)Cc1ccc(C)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-12-7-8-13(16(18)9-12)10-15(20-2)11-14-5-3-4-6-17(14)19/h3-9,15,20H,10-11H2,1-2H3
InChIKeyRHPCRJAILCIOGJ-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 106867013
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114347757
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 107884614
1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088346
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105133367
1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 106865944

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine (CID 106867049) is 1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccccc1F)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is RHPCRJAILCIOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12-7-8-13(16(18)9-12)10-15(20-2)11-14-5-3-4-6-17(14)19/h3-9,15,20H,10-11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine?
1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 106867049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).