1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine

C16H20N2 — CID 154016246

IUPAC1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine
SMILESCNC(Cc1ccccc1)(NC)c1ccccc1
InChIInChI=1S/C16H20N2/c1-17-16(18-2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,17-18H,13H2,1-2H3
InChIKeyYZOGIUCYCWRNHT-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.52
Rot. Bonds5

About 1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine

1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine (PubChem CID 154016246) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine
PubChem CID154016246
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine
SMILESCNC(Cc1ccccc1)(NC)c1ccccc1
InChIInChI=1S/C16H20N2/c1-17-16(18-2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,17-18H,13H2,1-2H3
InChIKeyYZOGIUCYCWRNHT-UHFFFAOYSA-N
XLogP2.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.52
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine (CID 154016246) is 1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine is CNC(Cc1ccccc1)(NC)c1ccccc1.
What is the InChIKey of 1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine?
The InChIKey is YZOGIUCYCWRNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-17-16(18-2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,17-18H,13H2,1-2H3.
What are the key properties of 1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine?
1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine has a molecular weight of 240.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethyl-1,2-diphenylethane-1,1-diamine is sourced from PubChem (CID 154016246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).