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

C14H16N2 — CID 23651231

IUPAC2-N-(1-phenylethyl)benzene-1,2-diamine
SMILESCC(Nc1ccccc1N)c1ccccc1
InChIInChI=1S/C14H16N2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h2-11,16H,15H2,1H3
InChIKeyMQWPQVBEANBHRS-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.44
Rot. Bonds3

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

2-N-(1-phenylethyl)benzene-1,2-diamine (PubChem CID 23651231) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-N-(1-phenylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-phenylethyl)benzene-1,2-diamine
PubChem CID23651231
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-N-(1-phenylethyl)benzene-1,2-diamine
SMILESCC(Nc1ccccc1N)c1ccccc1
InChIInChI=1S/C14H16N2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h2-11,16H,15H2,1H3
InChIKeyMQWPQVBEANBHRS-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.44
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-(1-phenylethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1-phenylethyl)benzene-1,2-diamine (CID 23651231) is 2-N-(1-phenylethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-phenylethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1-phenylethyl)benzene-1,2-diamine is CC(Nc1ccccc1N)c1ccccc1.
What is the InChIKey of 2-N-(1-phenylethyl)benzene-1,2-diamine?
The InChIKey is MQWPQVBEANBHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h2-11,16H,15H2,1H3.
What are the key properties of 2-N-(1-phenylethyl)benzene-1,2-diamine?
2-N-(1-phenylethyl)benzene-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-phenylethyl)benzene-1,2-diamine is sourced from PubChem (CID 23651231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).