[4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol

C15H18N2O2 — CID 121277220

IUPAC[4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol
SMILESOCNc1ccc(Cc2ccccc2NCO)cc1
InChIInChI=1S/C15H18N2O2/c18-10-16-14-7-5-12(6-8-14)9-13-3-1-2-4-15(13)17-11-19/h1-8,16-19H,9-11H2
InChIKeyMGEJZKUUSAXLSG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.00
Rot. Bonds6

About [4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol

[4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol (PubChem CID 121277220) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol.

Molecular Properties

Compound Name[4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol
PubChem CID121277220
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol
SMILESOCNc1ccc(Cc2ccccc2NCO)cc1
InChIInChI=1S/C15H18N2O2/c18-10-16-14-7-5-12(6-8-14)9-13-3-1-2-4-15(13)17-11-19/h1-8,16-19H,9-11H2
InChIKeyMGEJZKUUSAXLSG-UHFFFAOYSA-N
XLogP2.00
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[(4-methylphenyl)methyl]-N-phenylaniline
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N-(2-benzylphenyl)thiohydroxylamine
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N,N'-bis(2-benzylphenyl)oxamide
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(2E,6E)-8-(2-benzylanilino)-3,7-dimethylocta-2,6-dien-1-ol
CID 102400491
[4-[(4-isocyanatophenyl)methyl]anilino]methanol
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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol?
The IUPAC name of [4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol (CID 121277220) is [4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol.
What is the SMILES notation for [4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol?
The canonical SMILES for [4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol is OCNc1ccc(Cc2ccccc2NCO)cc1.
What is the InChIKey of [4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol?
The InChIKey is MGEJZKUUSAXLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-10-16-14-7-5-12(6-8-14)9-13-3-1-2-4-15(13)17-11-19/h1-8,16-19H,9-11H2.
What are the key properties of [4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol?
[4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol has a molecular weight of 258.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(hydroxymethylamino)phenyl]methyl]anilino]methanol is sourced from PubChem (CID 121277220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).