2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline

C18H23NO — CID 83961718

IUPAC2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline
SMILESCCOc1ccc(C)cc1NCCCc1ccccc1
InChIInChI=1S/C18H23NO/c1-3-20-18-12-11-15(2)14-17(18)19-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19H,3,7,10,13H2,1-2H3
InChIKeyCNRVPOVTWZEHEL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.44
Rot. Bonds7

About 2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline

2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline (PubChem CID 83961718) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline
PubChem CID83961718
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline
SMILESCCOc1ccc(C)cc1NCCCc1ccccc1
InChIInChI=1S/C18H23NO/c1-3-20-18-12-11-15(2)14-17(18)19-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19H,3,7,10,13H2,1-2H3
InChIKeyCNRVPOVTWZEHEL-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.44
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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Related Compounds

2-ethoxy-N-(3-methoxypropyl)-5-methylaniline
CID 83961689
2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
CID 28877675
2,5-dimethyl-N-(4-phenylbutyl)aniline
CID 114333158
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801441
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924439
3-bromo-5-chloro-2-ethoxy-N-(3-phenylpropyl)aniline
CID 43690682
N'-(5-methyl-2-propoxyphenyl)propane-1,3-diamine
CID 83961727
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924364
3,4-diethoxy-N-(2-phenylethyl)aniline
CID 29291848
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827070
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline?
The IUPAC name of 2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline (CID 83961718) is 2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline?
The canonical SMILES for 2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline is CCOc1ccc(C)cc1NCCCc1ccccc1.
What is the InChIKey of 2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline?
The InChIKey is CNRVPOVTWZEHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-20-18-12-11-15(2)14-17(18)19-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19H,3,7,10,13H2,1-2H3.
What are the key properties of 2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline?
2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 83961718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).