4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine

C19H20Cl2F3N — CID 71277019

IUPAC4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
SMILESCC(C)(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20Cl2F3N/c1-18(2,10-9-13-5-8-16(20)17(21)11-13)25-12-14-3-6-15(7-4-14)19(22,23)24/h3-8,11,25H,9-10,12H2,1-2H3
InChIKeyBFKRUMSENHICCE-UHFFFAOYSA-N
MW390.28 g/mol
LogP6.51
Rot. Bonds6

About 4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine

4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine (PubChem CID 71277019) has the molecular formula C19H20Cl2F3N and a molecular weight of 390.28 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
PubChem CID71277019
Molecular FormulaC19H20Cl2F3N
Molecular Weight390.28 g/mol
Exact Mass389.09
IUPAC Name4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
SMILESCC(C)(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20Cl2F3N/c1-18(2,10-9-13-5-8-16(20)17(21)11-13)25-12-14-3-6-15(7-4-14)19(22,23)24/h3-8,11,25H,9-10,12H2,1-2H3
InChIKeyBFKRUMSENHICCE-UHFFFAOYSA-N
XLogP6.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.28
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine (CID 71277019) is 4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine is CC(C)(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine?
The InChIKey is BFKRUMSENHICCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2F3N/c1-18(2,10-9-13-5-8-16(20)17(21)11-13)25-12-14-3-6-15(7-4-14)19(22,23)24/h3-8,11,25H,9-10,12H2,1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine?
4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine has a molecular weight of 390.28 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine is sourced from PubChem (CID 71277019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).