2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine

C15H18N2O — CID 169488583

IUPAC2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine
SMILESCOCCNc1cc(-c2ccccc2)ccc1N
InChIInChI=1S/C15H18N2O/c1-18-10-9-17-15-11-13(7-8-14(15)16)12-5-3-2-4-6-12/h2-8,11,17H,9-10,16H2,1H3
InChIKeyZYSQIZLYCHGYTG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.99
Rot. Bonds5

About 2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine

2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine (PubChem CID 169488583) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine
PubChem CID169488583
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine
SMILESCOCCNc1cc(-c2ccccc2)ccc1N
InChIInChI=1S/C15H18N2O/c1-18-10-9-17-15-11-13(7-8-14(15)16)12-5-3-2-4-6-12/h2-8,11,17H,9-10,16H2,1H3
InChIKeyZYSQIZLYCHGYTG-UHFFFAOYSA-N
XLogP2.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine (CID 169488583) is 2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine is COCCNc1cc(-c2ccccc2)ccc1N.
What is the InChIKey of 2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine?
The InChIKey is ZYSQIZLYCHGYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-10-9-17-15-11-13(7-8-14(15)16)12-5-3-2-4-6-12/h2-8,11,17H,9-10,16H2,1H3.
What are the key properties of 2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine?
2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine has a molecular weight of 242.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine is sourced from PubChem (CID 169488583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).