azete;phenylmethanamine

C10H12N2 — CID 70408997

IUPACazete;phenylmethanamine
SMILESC1=CN=C1.NCc1ccccc1
InChIInChI=1S/C7H9N.C3H3N/c8-6-7-4-2-1-3-5-7;1-2-4-3-1/h1-5H,6,8H2;1-3H
InChIKeySSOQGBRVUFXVTD-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.73
Rot. Bonds1

About azete;phenylmethanamine

azete;phenylmethanamine (PubChem CID 70408997) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is azete;phenylmethanamine.

Molecular Properties

Compound Nameazete;phenylmethanamine
PubChem CID70408997
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Nameazete;phenylmethanamine
SMILESC1=CN=C1.NCc1ccccc1
InChIInChI=1S/C7H9N.C3H3N/c8-6-7-4-2-1-3-5-7;1-2-4-3-1/h1-5H,6,8H2;1-3H
InChIKeySSOQGBRVUFXVTD-UHFFFAOYSA-N
XLogP1.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azete;phenylmethanamine?
The IUPAC name of azete;phenylmethanamine (CID 70408997) is azete;phenylmethanamine.
What is the SMILES notation for azete;phenylmethanamine?
The canonical SMILES for azete;phenylmethanamine is C1=CN=C1.NCc1ccccc1.
What is the InChIKey of azete;phenylmethanamine?
The InChIKey is SSOQGBRVUFXVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C3H3N/c8-6-7-4-2-1-3-5-7;1-2-4-3-1/h1-5H,6,8H2;1-3H.
What are the key properties of azete;phenylmethanamine?
azete;phenylmethanamine has a molecular weight of 160.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azete;phenylmethanamine is sourced from PubChem (CID 70408997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).