N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline

C13H16N4O — CID 123910725

IUPACN-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline
SMILESNN(NOCNc1ccccc1)c1ccccc1
InChIInChI=1S/C13H16N4O/c14-17(13-9-5-2-6-10-13)16-18-11-15-12-7-3-1-4-8-12/h1-10,15-16H,11,14H2
InChIKeyUGXYUQPQPBFCSM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.87
Rot. Bonds6

About N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline

N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline (PubChem CID 123910725) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline.

Molecular Properties

Compound NameN-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline
PubChem CID123910725
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline
SMILESNN(NOCNc1ccccc1)c1ccccc1
InChIInChI=1S/C13H16N4O/c14-17(13-9-5-2-6-10-13)16-18-11-15-12-7-3-1-4-8-12/h1-10,15-16H,11,14H2
InChIKeyUGXYUQPQPBFCSM-UHFFFAOYSA-N
XLogP1.87
TPSA62.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(silyloxymethyl)aniline
CID 123201342
N'-(anilinomethyl)-N,N'-diphenylmethanediamine
CID 20668878
O-(1-anilino-2-methylpropan-2-yl)hydroxylamine
CID 57321473
N'-butan-2-yl-N,N'-diphenylmethanediamine
CID 150607535
anilinomethyl nitrate
CID 87550626
N-propylaniline
CID 12153
N-(2-iodoethyl)aniline
CID 11184197
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
1,2-diphenylhydrazine;hydrazine
CID 161098943
N-(methoxymethyl)-3-phenyldiazenylaniline
CID 23618912
1-ethyl-1,2-diphenylhydrazine
CID 12616656
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline?
The IUPAC name of N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline (CID 123910725) is N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline.
What is the SMILES notation for N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline?
The canonical SMILES for N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline is NN(NOCNc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline?
The InChIKey is UGXYUQPQPBFCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-17(13-9-5-2-6-10-13)16-18-11-15-12-7-3-1-4-8-12/h1-10,15-16H,11,14H2.
What are the key properties of N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline?
N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline has a molecular weight of 244.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-2-phenylhydrazinyl)oxymethyl]aniline is sourced from PubChem (CID 123910725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).