N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine

C13H21NO3 — CID 60683313

IUPACN-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
SMILESCOCCNCCCOc1ccc(OC)cc1
InChIInChI=1S/C13H21NO3/c1-15-11-9-14-8-3-10-17-13-6-4-12(16-2)5-7-13/h4-7,14H,3,8-11H2,1-2H3
InChIKeyRBYBPDQVPOIYNY-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.70
Rot. Bonds9

About N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine

N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine (PubChem CID 60683313) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
PubChem CID60683313
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
SMILESCOCCNCCCOc1ccc(OC)cc1
InChIInChI=1S/C13H21NO3/c1-15-11-9-14-8-3-10-17-13-6-4-12(16-2)5-7-13/h4-7,14H,3,8-11H2,1-2H3
InChIKeyRBYBPDQVPOIYNY-UHFFFAOYSA-N
XLogP1.70
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 60683339
N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
CID 103604960
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62572894
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine (CID 60683313) is N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine is COCCNCCCOc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine?
The InChIKey is RBYBPDQVPOIYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-15-11-9-14-8-3-10-17-13-6-4-12(16-2)5-7-13/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine?
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine is sourced from PubChem (CID 60683313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).