3-(aminomethyl)phenol

C7H9NO — CID 735894

IUPAC3-(aminomethyl)phenol
SMILESNCc1cccc(O)c1
InChIInChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2
InChIKeyJNZYADHPGVZMQK-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.85
Rot. Bonds1

About 3-(aminomethyl)phenol

3-(aminomethyl)phenol (PubChem CID 735894) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-(aminomethyl)phenol.

Molecular Properties

Compound Name3-(aminomethyl)phenol
PubChem CID735894
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-(aminomethyl)phenol
SMILESNCc1cccc(O)c1
InChIInChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2
InChIKeyJNZYADHPGVZMQK-UHFFFAOYSA-N
XLogP0.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)phenol?
The IUPAC name of 3-(aminomethyl)phenol (CID 735894) is 3-(aminomethyl)phenol.
What is the SMILES notation for 3-(aminomethyl)phenol?
The canonical SMILES for 3-(aminomethyl)phenol is NCc1cccc(O)c1.
What is the InChIKey of 3-(aminomethyl)phenol?
The InChIKey is JNZYADHPGVZMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2.
What are the key properties of 3-(aminomethyl)phenol?
3-(aminomethyl)phenol has a molecular weight of 123.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)phenol is sourced from PubChem (CID 735894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).