4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol

C16H19N3O — CID 167297376

IUPAC4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol
SMILESCc1cc(C)cc(N(N)/C=C(\N)c2ccc(O)cc2)c1
InChIInChI=1S/C16H19N3O/c1-11-7-12(2)9-14(8-11)19(18)10-16(17)13-3-5-15(20)6-4-13/h3-10,20H,17-18H2,1-2H3/b16-10-
InChIKeySEMOJCHLFLUSAF-YBEGLDIGSA-N
MW269.35 g/mol
LogP2.65
Rot. Bonds3

About 4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol

4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol (PubChem CID 167297376) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol
PubChem CID167297376
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol
SMILESCc1cc(C)cc(N(N)/C=C(\N)c2ccc(O)cc2)c1
InChIInChI=1S/C16H19N3O/c1-11-7-12(2)9-14(8-11)19(18)10-16(17)13-3-5-15(20)6-4-13/h3-10,20H,17-18H2,1-2H3/b16-10-
InChIKeySEMOJCHLFLUSAF-YBEGLDIGSA-N
XLogP2.65
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol?
The IUPAC name of 4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol (CID 167297376) is 4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol.
What is the SMILES notation for 4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol?
The canonical SMILES for 4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol is Cc1cc(C)cc(N(N)/C=C(\N)c2ccc(O)cc2)c1.
What is the InChIKey of 4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol?
The InChIKey is SEMOJCHLFLUSAF-YBEGLDIGSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-7-12(2)9-14(8-11)19(18)10-16(17)13-3-5-15(20)6-4-13/h3-10,20H,17-18H2,1-2H3/b16-10-.
What are the key properties of 4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol?
4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol has a molecular weight of 269.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-2-(N-amino-3,5-dimethylanilino)ethenyl]phenol is sourced from PubChem (CID 167297376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).