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

C13H21NO3 — CID 62573044

IUPACN-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
SMILESCOCCNCCCOc1cccc(OC)c1
InChIInChI=1S/C13H21NO3/c1-15-10-8-14-7-4-9-17-13-6-3-5-12(11-13)16-2/h3,5-6,11,14H,4,7-10H2,1-2H3
InChIKeyQBOZIADRXGJWQM-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.70
Rot. Bonds9

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

N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine (PubChem CID 62573044) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
PubChem CID62573044
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
SMILESCOCCNCCCOc1cccc(OC)c1
InChIInChI=1S/C13H21NO3/c1-15-10-8-14-7-4-9-17-13-6-3-5-12(11-13)16-2/h3,5-6,11,14H,4,7-10H2,1-2H3
InChIKeyQBOZIADRXGJWQM-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

N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 82339456
3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599161
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 60684435
N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
CID 62582854
3-(2-methoxyethoxy)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 103605684
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 62572275
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine (CID 62573044) is N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine is COCCNCCCOc1cccc(OC)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine?
The InChIKey is QBOZIADRXGJWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-15-10-8-14-7-4-9-17-13-6-3-5-12(11-13)16-2/h3,5-6,11,14H,4,7-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine?
N-(2-methoxyethyl)-3-(3-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-(3-methoxyphenoxy)propan-1-amine is sourced from PubChem (CID 62573044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).