benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine

C15H18F3N3O — CID 159253031

IUPACbenzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1ccc(OC(F)(F)F)cc1.NNCc1ccccc1
InChIInChI=1S/C8H8F3NO.C7H10N2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7;8-9-6-7-4-2-1-3-5-7/h1-4H,5,12H2;1-5,9H,6,8H2
InChIKeyKVNUKTRFHQOCNM-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.69
Rot. Bonds4

About benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine

benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 159253031) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Namebenzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID159253031
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Namebenzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine
SMILESNCc1ccc(OC(F)(F)F)cc1.NNCc1ccccc1
InChIInChI=1S/C8H8F3NO.C7H10N2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7;8-9-6-7-4-2-1-3-5-7/h1-4H,5,12H2;1-5,9H,6,8H2
InChIKeyKVNUKTRFHQOCNM-UHFFFAOYSA-N
XLogP2.69
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 55464693
2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107596990
trifluoromethoxybenzene
CID 157402708
[2-(benzylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2353376
benzyl 3-[4-(trifluoromethoxy)phenyl]propanoate
CID 145346373
2-N,4-N-dibenzyl-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 101255631
2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28579124
trifluoromethoxybenzene fluoride
CID 158305019
[4-(trifluoromethylperoxy)phenyl]methanamine
CID 150309144

Frequently Asked Questions

What is the IUPAC name of benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine (CID 159253031) is benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine is NCc1ccc(OC(F)(F)F)cc1.NNCc1ccccc1.
What is the InChIKey of benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is KVNUKTRFHQOCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.C7H10N2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7;8-9-6-7-4-2-1-3-5-7/h1-4H,5,12H2;1-5,9H,6,8H2.
What are the key properties of benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine?
benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 313.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 159253031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).