N',N"-diphenylmethanetriamine

C13H15N3 — CID 89357309

IUPACN',N"-diphenylmethanetriamine
SMILESNC(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C13H15N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,13,15-16H,14H2
InChIKeyVACYPRZHVJSIDH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.45
Rot. Bonds4

About N',N"-diphenylmethanetriamine

N',N"-diphenylmethanetriamine (PubChem CID 89357309) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N',N"-diphenylmethanetriamine.

Molecular Properties

Compound NameN',N"-diphenylmethanetriamine
PubChem CID89357309
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN',N"-diphenylmethanetriamine
SMILESNC(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C13H15N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,13,15-16H,14H2
InChIKeyVACYPRZHVJSIDH-UHFFFAOYSA-N
XLogP2.45
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N',N"-diphenylmethanetriamine?
The IUPAC name of N',N"-diphenylmethanetriamine (CID 89357309) is N',N"-diphenylmethanetriamine.
What is the SMILES notation for N',N"-diphenylmethanetriamine?
The canonical SMILES for N',N"-diphenylmethanetriamine is NC(Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of N',N"-diphenylmethanetriamine?
The InChIKey is VACYPRZHVJSIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,13,15-16H,14H2.
What are the key properties of N',N"-diphenylmethanetriamine?
N',N"-diphenylmethanetriamine has a molecular weight of 213.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N"-diphenylmethanetriamine is sourced from PubChem (CID 89357309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).