2-[(iminomethylideneamino)methyl]phenol

C8H8N2O — CID 130035083

IUPAC2-[(iminomethylideneamino)methyl]phenol
SMILESN=C=NCc1ccccc1O
InChIInChI=1S/C8H8N2O/c9-6-10-5-7-3-1-2-4-8(7)11/h1-4,9,11H,5H2
InChIKeySYMCBZNSDJTNBW-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.64
Rot. Bonds2

About 2-[(iminomethylideneamino)methyl]phenol

2-[(iminomethylideneamino)methyl]phenol (PubChem CID 130035083) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-[(iminomethylideneamino)methyl]phenol.

Molecular Properties

Compound Name2-[(iminomethylideneamino)methyl]phenol
PubChem CID130035083
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-[(iminomethylideneamino)methyl]phenol
SMILESN=C=NCc1ccccc1O
InChIInChI=1S/C8H8N2O/c9-6-10-5-7-3-1-2-4-8(7)11/h1-4,9,11H,5H2
InChIKeySYMCBZNSDJTNBW-UHFFFAOYSA-N
XLogP1.64
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(isocyanatomethyl)phenol
CID 89330095
2-ethylphenol;isocyanic acid
CID 172820401
CID 175749710
CID 175749710
2-(2-methyliminoethyl)phenol
CID 15310524
CID 147052016
CID 147052016
2-(hydroxymethyl)phenol;methane
CID 157439231
(2-hydroxyphenyl)methylazanium
CID 6930904
CID 137424646
CID 137424646
2-prop-2-ynylphenol
CID 11658299
2-(2-isocyanopropyl)phenol
CID 105431640
2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol
CID 86066377
2-(aminomethyl)phenol;methane
CID 158060419

Frequently Asked Questions

What is the IUPAC name of 2-[(iminomethylideneamino)methyl]phenol?
The IUPAC name of 2-[(iminomethylideneamino)methyl]phenol (CID 130035083) is 2-[(iminomethylideneamino)methyl]phenol.
What is the SMILES notation for 2-[(iminomethylideneamino)methyl]phenol?
The canonical SMILES for 2-[(iminomethylideneamino)methyl]phenol is N=C=NCc1ccccc1O.
What is the InChIKey of 2-[(iminomethylideneamino)methyl]phenol?
The InChIKey is SYMCBZNSDJTNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-6-10-5-7-3-1-2-4-8(7)11/h1-4,9,11H,5H2.
What are the key properties of 2-[(iminomethylideneamino)methyl]phenol?
2-[(iminomethylideneamino)methyl]phenol has a molecular weight of 148.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(iminomethylideneamino)methyl]phenol is sourced from PubChem (CID 130035083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).