2-(aminomethyl)phenol;methane

C8H13NO — CID 158060419

IUPAC2-(aminomethyl)phenol;methane
SMILESC.NCc1ccccc1O
InChIInChI=1S/C7H9NO.CH4/c8-5-6-3-1-2-4-7(6)9;/h1-4,9H,5,8H2;1H4
InChIKeyFKOOKCZGKWQZNR-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.49
Rot. Bonds1

About 2-(aminomethyl)phenol;methane

2-(aminomethyl)phenol;methane (PubChem CID 158060419) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(aminomethyl)phenol;methane.

Molecular Properties

Compound Name2-(aminomethyl)phenol;methane
PubChem CID158060419
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(aminomethyl)phenol;methane
SMILESC.NCc1ccccc1O
InChIInChI=1S/C7H9NO.CH4/c8-5-6-3-1-2-4-7(6)9;/h1-4,9H,5,8H2;1H4
InChIKeyFKOOKCZGKWQZNR-UHFFFAOYSA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)phenol;methane?
The IUPAC name of 2-(aminomethyl)phenol;methane (CID 158060419) is 2-(aminomethyl)phenol;methane.
What is the SMILES notation for 2-(aminomethyl)phenol;methane?
The canonical SMILES for 2-(aminomethyl)phenol;methane is C.NCc1ccccc1O.
What is the InChIKey of 2-(aminomethyl)phenol;methane?
The InChIKey is FKOOKCZGKWQZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.CH4/c8-5-6-3-1-2-4-7(6)9;/h1-4,9H,5,8H2;1H4.
What are the key properties of 2-(aminomethyl)phenol;methane?
2-(aminomethyl)phenol;methane has a molecular weight of 139.20 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)phenol;methane is sourced from PubChem (CID 158060419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).