N-(2-phenylmethoxyethyl)aniline

C15H17NO — CID 571665

IUPACN-(2-phenylmethoxyethyl)aniline
SMILESc1ccc(COCCNc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-3-7-14(8-4-1)13-17-12-11-16-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyYAOUBSNJEKGSGP-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.32
Rot. Bonds6

About N-(2-phenylmethoxyethyl)aniline

N-(2-phenylmethoxyethyl)aniline (PubChem CID 571665) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)aniline.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)aniline
PubChem CID571665
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-(2-phenylmethoxyethyl)aniline
SMILESc1ccc(COCCNc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-3-7-14(8-4-1)13-17-12-11-16-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyYAOUBSNJEKGSGP-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.32
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-phenylmethoxyethyl)aniline?
The IUPAC name of N-(2-phenylmethoxyethyl)aniline (CID 571665) is N-(2-phenylmethoxyethyl)aniline.
What is the SMILES notation for N-(2-phenylmethoxyethyl)aniline?
The canonical SMILES for N-(2-phenylmethoxyethyl)aniline is c1ccc(COCCNc2ccccc2)cc1.
What is the InChIKey of N-(2-phenylmethoxyethyl)aniline?
The InChIKey is YAOUBSNJEKGSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-7-14(8-4-1)13-17-12-11-16-15-9-5-2-6-10-15/h1-10,16H,11-13H2.
What are the key properties of N-(2-phenylmethoxyethyl)aniline?
N-(2-phenylmethoxyethyl)aniline has a molecular weight of 227.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)aniline is sourced from PubChem (CID 571665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).