2-N-(2-phenylethyl)benzene-1,2-diamine

C14H16N2 — CID 2317489

IUPAC2-N-(2-phenylethyl)benzene-1,2-diamine
SMILESNc1ccccc1NCCc1ccccc1
InChIInChI=1S/C14H16N2/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11,15H2
InChIKeyUMCDLQOIKZOKNA-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.92
Rot. Bonds4

About 2-N-(2-phenylethyl)benzene-1,2-diamine

2-N-(2-phenylethyl)benzene-1,2-diamine (PubChem CID 2317489) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-N-(2-phenylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-phenylethyl)benzene-1,2-diamine
PubChem CID2317489
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-N-(2-phenylethyl)benzene-1,2-diamine
SMILESNc1ccccc1NCCc1ccccc1
InChIInChI=1S/C14H16N2/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11,15H2
InChIKeyUMCDLQOIKZOKNA-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.92
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 2-N-(2-phenylethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2-phenylethyl)benzene-1,2-diamine (CID 2317489) is 2-N-(2-phenylethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-phenylethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2-phenylethyl)benzene-1,2-diamine is Nc1ccccc1NCCc1ccccc1.
What is the InChIKey of 2-N-(2-phenylethyl)benzene-1,2-diamine?
The InChIKey is UMCDLQOIKZOKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11,15H2.
What are the key properties of 2-N-(2-phenylethyl)benzene-1,2-diamine?
2-N-(2-phenylethyl)benzene-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-phenylethyl)benzene-1,2-diamine is sourced from PubChem (CID 2317489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).