(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine

C18H19ClF3N — CID 52514484

IUPAC(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
SMILESC[C@H](CCc1ccc(Cl)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19ClF3N/c1-13(2-3-14-6-10-17(19)11-7-14)23-12-15-4-8-16(9-5-15)18(20,21)22/h4-11,13,23H,2-3,12H2,1H3/t13-/m1/s1
InChIKeySNSIQWWUXFSTGO-CYBMUJFWSA-N
MW341.80 g/mol
LogP5.47
Rot. Bonds6

About (2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine

(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine (PubChem CID 52514484) has the molecular formula C18H19ClF3N and a molecular weight of 341.80 g/mol. Its IUPAC name is (2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
PubChem CID52514484
Molecular FormulaC18H19ClF3N
Molecular Weight341.80 g/mol
Exact Mass341.12
IUPAC Name(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
SMILESC[C@H](CCc1ccc(Cl)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19ClF3N/c1-13(2-3-14-6-10-17(19)11-7-14)23-12-15-4-8-16(9-5-15)18(20,21)22/h4-11,13,23H,2-3,12H2,1H3/t13-/m1/s1
InChIKeySNSIQWWUXFSTGO-CYBMUJFWSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.80
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine?
The IUPAC name of (2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine (CID 52514484) is (2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine.
What is the SMILES notation for (2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine?
The canonical SMILES for (2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine is C[C@H](CCc1ccc(Cl)cc1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine?
The InChIKey is SNSIQWWUXFSTGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19ClF3N/c1-13(2-3-14-6-10-17(19)11-7-14)23-12-15-4-8-16(9-5-15)18(20,21)22/h4-11,13,23H,2-3,12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine?
(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine has a molecular weight of 341.80 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine is sourced from PubChem (CID 52514484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).