3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine

C14H23NO2 — CID 62599161

IUPAC3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCCc1cccc(OCCCNCCOC)c1
InChIInChI=1S/C14H23NO2/c1-3-13-6-4-7-14(12-13)17-10-5-8-15-9-11-16-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3
InChIKeyZHQFOPDZNMOMOA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.25
Rot. Bonds9

About 3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine

3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62599161) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
PubChem CID62599161
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCCc1cccc(OCCCNCCOC)c1
InChIInChI=1S/C14H23NO2/c1-3-13-6-4-7-14(12-13)17-10-5-8-15-9-11-16-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3
InChIKeyZHQFOPDZNMOMOA-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.25
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-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
5-(3-ethylphenoxy)-N-propylpentan-1-amine
CID 62449956
N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine
CID 2299706
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
CID 62582854
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 60684435
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2922395
3-(2-methoxyethoxy)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 103605684
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
CID 114009157

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine (CID 62599161) is 3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine is CCc1cccc(OCCCNCCOC)c1.
What is the InChIKey of 3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is ZHQFOPDZNMOMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-13-6-4-7-14(12-13)17-10-5-8-15-9-11-16-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3.
What are the key properties of 3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62599161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).