(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine

C17H17ClF3N — CID 69252519

IUPAC(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine
SMILESC[C@@H](CNCc1cccc(C(F)(F)F)c1Cl)c1ccccc1
InChIInChI=1S/C17H17ClF3N/c1-12(13-6-3-2-4-7-13)10-22-11-14-8-5-9-15(16(14)18)17(19,20)21/h2-9,12,22H,10-11H2,1H3/t12-/m0/s1
InChIKeyQZZYRMAMFHUPQD-LBPRGKRZSA-N
MW327.78 g/mol
LogP5.25
Rot. Bonds5

About (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine

(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine (PubChem CID 69252519) has the molecular formula C17H17ClF3N and a molecular weight of 327.78 g/mol. Its IUPAC name is (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine
PubChem CID69252519
Molecular FormulaC17H17ClF3N
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine
SMILESC[C@@H](CNCc1cccc(C(F)(F)F)c1Cl)c1ccccc1
InChIInChI=1S/C17H17ClF3N/c1-12(13-6-3-2-4-7-13)10-22-11-14-8-5-9-15(16(14)18)17(19,20)21/h2-9,12,22H,10-11H2,1H3/t12-/m0/s1
InChIKeyQZZYRMAMFHUPQD-LBPRGKRZSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.78
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine?
The IUPAC name of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine (CID 69252519) is (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine?
The canonical SMILES for (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine is C[C@@H](CNCc1cccc(C(F)(F)F)c1Cl)c1ccccc1.
What is the InChIKey of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine?
The InChIKey is QZZYRMAMFHUPQD-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17ClF3N/c1-12(13-6-3-2-4-7-13)10-22-11-14-8-5-9-15(16(14)18)17(19,20)21/h2-9,12,22H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine?
(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine has a molecular weight of 327.78 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 69252519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).