2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol

C15H16N2O2 — CID 135832517

IUPAC2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESC/C(=N/NCc1ccccc1)c1c(O)cccc1O
InChIInChI=1S/C15H16N2O2/c1-11(15-13(18)8-5-9-14(15)19)17-16-10-12-6-3-2-4-7-12/h2-9,16,18-19H,10H2,1H3/b17-11-
InChIKeyLZPSNRACEDQCCU-BOPFTXTBSA-N
MW256.31 g/mol
LogP2.61
Rot. Bonds4

About 2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol

2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol (PubChem CID 135832517) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol
PubChem CID135832517
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESC/C(=N/NCc1ccccc1)c1c(O)cccc1O
InChIInChI=1S/C15H16N2O2/c1-11(15-13(18)8-5-9-14(15)19)17-16-10-12-6-3-2-4-7-12/h2-9,16,18-19H,10H2,1H3/b17-11-
InChIKeyLZPSNRACEDQCCU-BOPFTXTBSA-N
XLogP2.61
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-N-(benzylamino)-C-methylcarbonimidoyl]-3-ethoxyphenol
CID 135518236
N-[1-(4-methoxyphenyl)ethylideneamino]-1-phenylmethanamine
CID 137318860
1,2-bis(benzylamino)guanidine;hydrochloride
CID 131985003
1-benzyl-3-(propan-2-ylideneamino)urea
CID 2747682
2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol
CID 136688295
N-benzylethanethioamide
CID 3598879
N-benzylethanamine;trimethylsilane
CID 173401135
4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol
CID 136828832
2-(benzylcarbamoyl)-3,6-dihydroxybenzoic acid
CID 139355426
N-benzylacetamide;toluene
CID 175498463
N-benzylacetamide;ethanamine
CID 22257034
N-benzylethanamine;tris(yttrium)
CID 158198357

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol?
The IUPAC name of 2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol (CID 135832517) is 2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol is C/C(=N/NCc1ccccc1)c1c(O)cccc1O.
What is the InChIKey of 2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol?
The InChIKey is LZPSNRACEDQCCU-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(15-13(18)8-5-9-14(15)19)17-16-10-12-6-3-2-4-7-12/h2-9,16,18-19H,10H2,1H3/b17-11-.
What are the key properties of 2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol?
2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol has a molecular weight of 256.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-(benzylamino)-C-methylcarbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 135832517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).