N-[3-(3-ethoxyphenoxy)propyl]aniline

C17H21NO2 — CID 62584936

IUPACN-[3-(3-ethoxyphenoxy)propyl]aniline
SMILESCCOc1cccc(OCCCNc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-2-19-16-10-6-11-17(14-16)20-13-7-12-18-15-8-4-3-5-9-15/h3-6,8-11,14,18H,2,7,12-13H2,1H3
InChIKeyFABUERJLOCYSBA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.97
Rot. Bonds8

About N-[3-(3-ethoxyphenoxy)propyl]aniline

N-[3-(3-ethoxyphenoxy)propyl]aniline (PubChem CID 62584936) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3-(3-ethoxyphenoxy)propyl]aniline.

Molecular Properties

Compound NameN-[3-(3-ethoxyphenoxy)propyl]aniline
PubChem CID62584936
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[3-(3-ethoxyphenoxy)propyl]aniline
SMILESCCOc1cccc(OCCCNc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-2-19-16-10-6-11-17(14-16)20-13-7-12-18-15-8-4-3-5-9-15/h3-6,8-11,14,18H,2,7,12-13H2,1H3
InChIKeyFABUERJLOCYSBA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
3-ethoxy-N-propylaniline
CID 54800867
3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 2296967
N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54808343
3-butoxy-N-octylaniline
CID 54800685
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
3-butoxy-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54800729
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxyphenoxy)propyl]aniline?
The IUPAC name of N-[3-(3-ethoxyphenoxy)propyl]aniline (CID 62584936) is N-[3-(3-ethoxyphenoxy)propyl]aniline.
What is the SMILES notation for N-[3-(3-ethoxyphenoxy)propyl]aniline?
The canonical SMILES for N-[3-(3-ethoxyphenoxy)propyl]aniline is CCOc1cccc(OCCCNc2ccccc2)c1.
What is the InChIKey of N-[3-(3-ethoxyphenoxy)propyl]aniline?
The InChIKey is FABUERJLOCYSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-19-16-10-6-11-17(14-16)20-13-7-12-18-15-8-4-3-5-9-15/h3-6,8-11,14,18H,2,7,12-13H2,1H3.
What are the key properties of N-[3-(3-ethoxyphenoxy)propyl]aniline?
N-[3-(3-ethoxyphenoxy)propyl]aniline 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-[3-(3-ethoxyphenoxy)propyl]aniline is sourced from PubChem (CID 62584936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).