N-(2-phenoxyethyl)-4-propoxyaniline

C17H21NO2 — CID 54799062

IUPACN-(2-phenoxyethyl)-4-propoxyaniline
SMILESCCCOc1ccc(NCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-2-13-19-17-10-8-15(9-11-17)18-12-14-20-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
InChIKeyPNIHHEBZKBDEQZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.97
Rot. Bonds8

About N-(2-phenoxyethyl)-4-propoxyaniline

N-(2-phenoxyethyl)-4-propoxyaniline (PubChem CID 54799062) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-4-propoxyaniline.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-4-propoxyaniline
PubChem CID54799062
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(2-phenoxyethyl)-4-propoxyaniline
SMILESCCCOc1ccc(NCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-2-13-19-17-10-8-15(9-11-17)18-12-14-20-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
InChIKeyPNIHHEBZKBDEQZ-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-phenoxyethyl)-4-propoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517333
N-[2-(2-chlorophenoxy)ethyl]-4-propoxyaniline
CID 54798999
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54810146
N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54806067
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
N-(2-methylsulfonylethyl)-4-propoxyaniline
CID 62327463

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-4-propoxyaniline?
The IUPAC name of N-(2-phenoxyethyl)-4-propoxyaniline (CID 54799062) is N-(2-phenoxyethyl)-4-propoxyaniline.
What is the SMILES notation for N-(2-phenoxyethyl)-4-propoxyaniline?
The canonical SMILES for N-(2-phenoxyethyl)-4-propoxyaniline is CCCOc1ccc(NCCOc2ccccc2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-4-propoxyaniline?
The InChIKey is PNIHHEBZKBDEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-13-19-17-10-8-15(9-11-17)18-12-14-20-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3.
What are the key properties of N-(2-phenoxyethyl)-4-propoxyaniline?
N-(2-phenoxyethyl)-4-propoxyaniline has a molecular weight of 271.36 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-4-propoxyaniline is sourced from PubChem (CID 54799062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).