3-phenylbenzene-1,2-diamine;propane

C15H20N2 — CID 70378466

IUPAC3-phenylbenzene-1,2-diamine;propane
SMILESCCC.Nc1cccc(-c2ccccc2)c1N
InChIInChI=1S/C12H12N2.C3H8/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-3-2/h1-8H,13-14H2;3H2,1-2H3
InChIKeyHEIGGANLRWWLFE-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.93
Rot. Bonds1

About 3-phenylbenzene-1,2-diamine;propane

3-phenylbenzene-1,2-diamine;propane (PubChem CID 70378466) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-phenylbenzene-1,2-diamine;propane.

Molecular Properties

Compound Name3-phenylbenzene-1,2-diamine;propane
PubChem CID70378466
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-phenylbenzene-1,2-diamine;propane
SMILESCCC.Nc1cccc(-c2ccccc2)c1N
InChIInChI=1S/C12H12N2.C3H8/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-3-2/h1-8H,13-14H2;3H2,1-2H3
InChIKeyHEIGGANLRWWLFE-UHFFFAOYSA-N
XLogP3.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenylbenzene-1,2-diamine;propane?
The IUPAC name of 3-phenylbenzene-1,2-diamine;propane (CID 70378466) is 3-phenylbenzene-1,2-diamine;propane.
What is the SMILES notation for 3-phenylbenzene-1,2-diamine;propane?
The canonical SMILES for 3-phenylbenzene-1,2-diamine;propane is CCC.Nc1cccc(-c2ccccc2)c1N.
What is the InChIKey of 3-phenylbenzene-1,2-diamine;propane?
The InChIKey is HEIGGANLRWWLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C3H8/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-3-2/h1-8H,13-14H2;3H2,1-2H3.
What are the key properties of 3-phenylbenzene-1,2-diamine;propane?
3-phenylbenzene-1,2-diamine;propane has a molecular weight of 228.34 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzene-1,2-diamine;propane is sourced from PubChem (CID 70378466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).