3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline

C18H23NO2 — CID 46736308

IUPAC3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
SMILESCCOc1cccc(NCC(C)Oc2cccc(C)c2)c1
InChIInChI=1S/C18H23NO2/c1-4-20-17-9-6-8-16(12-17)19-13-15(3)21-18-10-5-7-14(2)11-18/h5-12,15,19H,4,13H2,1-3H3
InChIKeyONUADCLBULNZQU-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.27
Rot. Bonds7

About 3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline

3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline (PubChem CID 46736308) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline.

Molecular Properties

Compound Name3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
PubChem CID46736308
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
SMILESCCOc1cccc(NCC(C)Oc2cccc(C)c2)c1
InChIInChI=1S/C18H23NO2/c1-4-20-17-9-6-8-16(12-17)19-13-15(3)21-18-10-5-7-14(2)11-18/h5-12,15,19H,4,13H2,1-3H3
InChIKeyONUADCLBULNZQU-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800925
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
CID 54803087
4-hexoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 54798879
N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138
N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 55073189
3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54802183
3-butoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 46736300
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452
N-[2-(4-tert-butylphenoxy)propyl]-3-(2-methoxyethoxy)aniline
CID 54803138
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-methoxyethoxy)aniline
CID 54803104
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
CID 54797800

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline?
The IUPAC name of 3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline (CID 46736308) is 3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline.
What is the SMILES notation for 3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline?
The canonical SMILES for 3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline is CCOc1cccc(NCC(C)Oc2cccc(C)c2)c1.
What is the InChIKey of 3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline?
The InChIKey is ONUADCLBULNZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-20-17-9-6-8-16(12-17)19-13-15(3)21-18-10-5-7-14(2)11-18/h5-12,15,19H,4,13H2,1-3H3.
What are the key properties of 3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline?
3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline is sourced from PubChem (CID 46736308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).