N-(2-methoxyethyl)-2-phenylaniline

C15H17NO — CID 28569408

IUPACN-(2-methoxyethyl)-2-phenylaniline
SMILESCOCCNc1ccccc1-c1ccccc1
InChIInChI=1S/C15H17NO/c1-17-12-11-16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyNXCKFZHRXHQYAX-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.41
Rot. Bonds5

About N-(2-methoxyethyl)-2-phenylaniline

N-(2-methoxyethyl)-2-phenylaniline (PubChem CID 28569408) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-phenylaniline.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-phenylaniline
PubChem CID28569408
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-(2-methoxyethyl)-2-phenylaniline
SMILESCOCCNc1ccccc1-c1ccccc1
InChIInChI=1S/C15H17NO/c1-17-12-11-16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyNXCKFZHRXHQYAX-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-phenylaniline?
The IUPAC name of N-(2-methoxyethyl)-2-phenylaniline (CID 28569408) is N-(2-methoxyethyl)-2-phenylaniline.
What is the SMILES notation for N-(2-methoxyethyl)-2-phenylaniline?
The canonical SMILES for N-(2-methoxyethyl)-2-phenylaniline is COCCNc1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-2-phenylaniline?
The InChIKey is NXCKFZHRXHQYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-12-11-16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-phenylaniline?
N-(2-methoxyethyl)-2-phenylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-phenylaniline is sourced from PubChem (CID 28569408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).