3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine

C17H29NO3 — CID 2280964

IUPAC3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine
SMILESCOCCCNCCOCCOc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO3/c1-15(2)16-6-4-7-17(14-16)21-13-12-20-11-9-18-8-5-10-19-3/h4,6-7,14-15,18H,5,8-13H2,1-3H3
InChIKeyOOLZJMGHOMGWPC-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.83
Rot. Bonds12

About 3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine

3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine (PubChem CID 2280964) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine
PubChem CID2280964
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine
SMILESCOCCCNCCOCCOc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO3/c1-15(2)16-6-4-7-17(14-16)21-13-12-20-11-9-18-8-5-10-19-3/h4,6-7,14-15,18H,5,8-13H2,1-3H3
InChIKeyOOLZJMGHOMGWPC-UHFFFAOYSA-N
XLogP2.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.83
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

2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62572262
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692
N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine
CID 82353979
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
3-(2-methoxyethoxy)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 103605684
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 60684435
N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2276677
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine (CID 2280964) is 3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine is COCCCNCCOCCOc1cccc(C(C)C)c1.
What is the InChIKey of 3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine?
The InChIKey is OOLZJMGHOMGWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-15(2)16-6-4-7-17(14-16)21-13-12-20-11-9-18-8-5-10-19-3/h4,6-7,14-15,18H,5,8-13H2,1-3H3.
What are the key properties of 3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine?
3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 2.83, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 2280964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).