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N1-[4-(trifluoromethoxy)phenyl]propane-1,2-diamine

HCID 21082274
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(N)CNc1ccc(OC(F)(F)F)cc1
InChIKey
OCXXYKJHUOYVLB-UHFFFAOYSA-N
Molecular formula
C10H13F3N2O
Average molar mass
234.22 g/mol
Monoisotopic mass
234.09799753

Names & identifiers

Preferred name
N1-[4-(trifluoromethoxy)phenyl]propane-1,2-diamine
IUPAC
1-N-[4-(trifluoromethoxy)phenyl]propane-1,2-diamine

Names & synonyms

SCHEMBL3017461AKOS040791709N1-[4-(trifluoromethoxy)phenyl]propane-1,2-diamine1823477-31-1

Database identifiers

PubChem CID
21082274

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
47.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
203

Related reactions

5 records
New reaction record
HRID 193411 reaction equation
HRID 193411As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 212278 reaction equation
HRID 212278As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 283940 reaction equation
HRID 283940As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 696916 reaction equation
HRID 696916As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2147994 reaction equation
HRID 2147994As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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