[3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol

C9H11Cl2N3O — CID 146437818

IUPAC[3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol
SMILESN/C=C\N(N)c1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C9H11Cl2N3O/c10-7-1-2-8(14(13)4-3-12)9(11)6(7)5-15/h1-4,15H,5,12-13H2/b4-3-
InChIKeyUKUWYYOOPNGINR-ARJAWSKDSA-N
MW248.11 g/mol
LogP1.60
Rot. Bonds3

About [3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol

[3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol (PubChem CID 146437818) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is [3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol.

Molecular Properties

Compound Name[3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol
PubChem CID146437818
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name[3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol
SMILESN/C=C\N(N)c1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C9H11Cl2N3O/c10-7-1-2-8(14(13)4-3-12)9(11)6(7)5-15/h1-4,15H,5,12-13H2/b4-3-
InChIKeyUKUWYYOOPNGINR-ARJAWSKDSA-N
XLogP1.60
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 51.60
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

2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
CID 18704970
[2-Chloro-5-(propan-2-ylamino)phenyl]methanol
CID 23390717
[2-Chloro-5-(dimethylamino)phenyl]methanol
CID 54011893
(2-Chloro-3-dimethylamino-phenyl)methanol
CID 57885763
[2-Chloro-5-(methylamino)phenyl]methanol
CID 59817840
2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
CID 67596093
N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide
CID 86198848
N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
CID 139666519
[2,4-Dichloro-5-(propan-2-ylamino)phenyl]methanol
CID 145767067
1-[3-[Amino(1-hydroxyethyl)amino]-2-chlorophenyl]ethanol
CID 146277635
1-[2,4-Dichloro-3-(methylamino)phenyl]ethanol
CID 147752403
[2-Chloro-3-(methylamino)phenyl]methanol
CID 155220640

Frequently Asked Questions

What is the IUPAC name of [3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol?
The IUPAC name of [3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol (CID 146437818) is [3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol.
What is the SMILES notation for [3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol?
The canonical SMILES for [3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol is N/C=C\N(N)c1ccc(Cl)c(CO)c1Cl.
What is the InChIKey of [3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol?
The InChIKey is UKUWYYOOPNGINR-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c10-7-1-2-8(14(13)4-3-12)9(11)6(7)5-15/h1-4,15H,5,12-13H2/b4-3-.
What are the key properties of [3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol?
[3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol has a molecular weight of 248.11 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol is sourced from PubChem (CID 146437818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).