[3-(5-bromo-2-methanimidoylanilino)phenyl]methanol

C14H13BrN2O — CID 145002743

IUPAC[3-(5-bromo-2-methanimidoylanilino)phenyl]methanol
SMILES[H]/N=C/c1ccc(Br)cc1Nc1cccc(CO)c1
InChIInChI=1S/C14H13BrN2O/c15-12-5-4-11(8-16)14(7-12)17-13-3-1-2-10(6-13)9-18/h1-8,16-18H,9H2/b16-8+
InChIKeyWUBOTGNOGSALBG-LZYBPNLTSA-N
MW305.18 g/mol
LogP3.68
Rot. Bonds4

About [3-(5-bromo-2-methanimidoylanilino)phenyl]methanol

[3-(5-bromo-2-methanimidoylanilino)phenyl]methanol (PubChem CID 145002743) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is [3-(5-bromo-2-methanimidoylanilino)phenyl]methanol.

Molecular Properties

Compound Name[3-(5-bromo-2-methanimidoylanilino)phenyl]methanol
PubChem CID145002743
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name[3-(5-bromo-2-methanimidoylanilino)phenyl]methanol
SMILES[H]/N=C/c1ccc(Br)cc1Nc1cccc(CO)c1
InChIInChI=1S/C14H13BrN2O/c15-12-5-4-11(8-16)14(7-12)17-13-3-1-2-10(6-13)9-18/h1-8,16-18H,9H2/b16-8+
InChIKeyWUBOTGNOGSALBG-LZYBPNLTSA-N
XLogP3.68
TPSA56.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 134405282
2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline
CID 155713746
4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 155713764
N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane
CID 145002499
N-(5-bromo-2-methanimidoylphenyl)-1-cyclopropylpyrazol-4-amine
CID 164586611
2-amino-3-hydroxy-N-[4-methanimidoyl-3-(3-methylanilino)phenyl]propanamide
CID 155220408
[3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol
CID 71163222
4-bromo-N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 78988027
[3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol
CID 143533221
[3-[(2,7-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749137
[3-(2,2-difluoroethylamino)phenyl]methanol
CID 130693904
2-N-[4-(benzylamino)-3-methanimidoylphenyl]-4-N-(3-bromophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 142056669

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-2-methanimidoylanilino)phenyl]methanol?
The IUPAC name of [3-(5-bromo-2-methanimidoylanilino)phenyl]methanol (CID 145002743) is [3-(5-bromo-2-methanimidoylanilino)phenyl]methanol.
What is the SMILES notation for [3-(5-bromo-2-methanimidoylanilino)phenyl]methanol?
The canonical SMILES for [3-(5-bromo-2-methanimidoylanilino)phenyl]methanol is [H]/N=C/c1ccc(Br)cc1Nc1cccc(CO)c1.
What is the InChIKey of [3-(5-bromo-2-methanimidoylanilino)phenyl]methanol?
The InChIKey is WUBOTGNOGSALBG-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-12-5-4-11(8-16)14(7-12)17-13-3-1-2-10(6-13)9-18/h1-8,16-18H,9H2/b16-8+.
What are the key properties of [3-(5-bromo-2-methanimidoylanilino)phenyl]methanol?
[3-(5-bromo-2-methanimidoylanilino)phenyl]methanol has a molecular weight of 305.18 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-2-methanimidoylanilino)phenyl]methanol is sourced from PubChem (CID 145002743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).