N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide

C17H18F3N3O2 — CID 140868657

IUPACN-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide
SMILESNc1cc(NCc2cccc(C(F)(F)F)c2)ccc1CCONC=O
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)14-3-1-2-12(8-14)10-22-15-5-4-13(16(21)9-15)6-7-25-23-11-24/h1-5,8-9,11,22H,6-7,10,21H2,(H,23,24)
InChIKeyGIQYYBWGMMIQEK-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.12
Rot. Bonds8

About N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide

N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide (PubChem CID 140868657) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide.

Molecular Properties

Compound NameN-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide
PubChem CID140868657
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide
SMILESNc1cc(NCc2cccc(C(F)(F)F)c2)ccc1CCONC=O
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)14-3-1-2-12(8-14)10-22-15-5-4-13(16(21)9-15)6-7-25-23-11-24/h1-5,8-9,11,22H,6-7,10,21H2,(H,23,24)
InChIKeyGIQYYBWGMMIQEK-UHFFFAOYSA-N
XLogP3.12
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
2-[3-(trifluoromethyl)phenyl]ethyl formate
CID 87333633
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
4-ethynyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 44819185
3-[[3-(trifluoromethyl)anilino]methyl]benzoic acid
CID 82095988
2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 79463391
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide?
The IUPAC name of N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide (CID 140868657) is N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide.
What is the SMILES notation for N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide?
The canonical SMILES for N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide is Nc1cc(NCc2cccc(C(F)(F)F)c2)ccc1CCONC=O.
What is the InChIKey of N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide?
The InChIKey is GIQYYBWGMMIQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)14-3-1-2-12(8-14)10-22-15-5-4-13(16(21)9-15)6-7-25-23-11-24/h1-5,8-9,11,22H,6-7,10,21H2,(H,23,24).
What are the key properties of N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide?
N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide has a molecular weight of 353.34 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]ethoxy]formamide is sourced from PubChem (CID 140868657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).