(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine

C17H17F3N2O2 — CID 147733152

IUPAC(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine
SMILESO=[N+]([O-])C[C@](NCCc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)16(13-22(23)24,15-9-5-2-6-10-15)21-12-11-14-7-3-1-4-8-14/h1-10,21H,11-13H2/t16-/m0/s1
InChIKeyGYVJJFZCSZKPLJ-INIZCTEOSA-N
MW338.33 g/mol
LogP3.55
Rot. Bonds7

About (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine

(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine (PubChem CID 147733152) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine
PubChem CID147733152
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine
SMILESO=[N+]([O-])C[C@](NCCc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)16(13-22(23)24,15-9-5-2-6-10-15)21-12-11-14-7-3-1-4-8-14/h1-10,21H,11-13H2/t16-/m0/s1
InChIKeyGYVJJFZCSZKPLJ-INIZCTEOSA-N
XLogP3.55
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-1,1,1-trifluoro-3-nitro-2-phenylpropan-2-yl]sulfanylethylbenzene
CID 134952384
1,1,1-trifluoro-2-(nitromethyl)-4-phenylbutan-2-ol
CID 166448616
(2S)-2-hydroxy-2-methyl-3-nitro-N-(2-phenylethyl)propanamide
CID 164680327
2-[(2R)-1,1,1-trifluoro-2-(nitromethyl)-4-phenylbutan-2-yl]-1H-pyrrole
CID 166440931
1,1,2-trinitroethylbenzene
CID 18981522
benzyl 2-hydroxy-3-nitro-2-phenylpropanoate
CID 162413901
(2R)-1-nitro-2-phenylpropan-2-ol
CID 101414779
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
CID 90498103
1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine
CID 66204159
N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine
CID 66204953
1-chloro-2-nitro-1-phenylethanol
CID 174781178

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine?
The IUPAC name of (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine (CID 147733152) is (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine is O=[N+]([O-])C[C@](NCCc1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine?
The InChIKey is GYVJJFZCSZKPLJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-17(19,20)16(13-22(23)24,15-9-5-2-6-10-15)21-12-11-14-7-3-1-4-8-14/h1-10,21H,11-13H2/t16-/m0/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine?
(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine has a molecular weight of 338.33 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-phenylethyl)propan-2-amine is sourced from PubChem (CID 147733152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).