phenylmethanediamine

C7H10N2 — CID 6367052

IUPACphenylmethanediamine
SMILESNC(N)c1ccccc1
InChIInChI=1S/C7H10N2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H,8-9H2
InChIKeyDYFXGORUJGZJCA-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.60
Rot. Bonds1

About phenylmethanediamine

phenylmethanediamine (PubChem CID 6367052) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is phenylmethanediamine.

Molecular Properties

Compound Namephenylmethanediamine
PubChem CID6367052
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Namephenylmethanediamine
SMILESNC(N)c1ccccc1
InChIInChI=1S/C7H10N2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H,8-9H2
InChIKeyDYFXGORUJGZJCA-UHFFFAOYSA-N
XLogP0.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenylmethanediamine?
The IUPAC name of phenylmethanediamine (CID 6367052) is phenylmethanediamine.
What is the SMILES notation for phenylmethanediamine?
The canonical SMILES for phenylmethanediamine is NC(N)c1ccccc1.
What is the InChIKey of phenylmethanediamine?
The InChIKey is DYFXGORUJGZJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H,8-9H2.
What are the key properties of phenylmethanediamine?
phenylmethanediamine has a molecular weight of 122.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanediamine is sourced from PubChem (CID 6367052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).