N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine

C16H27NO2 — CID 55093446

IUPACN-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine
SMILESCOCCc1ccc(OCCNCCC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-14(2)8-10-17-11-13-19-16-6-4-15(5-7-16)9-12-18-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyGDOQMJUPIGUCER-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.89
Rot. Bonds10

About N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine

N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine (PubChem CID 55093446) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine
PubChem CID55093446
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine
SMILESCOCCc1ccc(OCCNCCC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-14(2)8-10-17-11-13-19-16-6-4-15(5-7-16)9-12-18-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyGDOQMJUPIGUCER-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.89
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-[4-(2-methoxyethyl)phenoxy]ethyl]propan-2-amine
CID 14694037
1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
CID 156727019
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62597043
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62598944
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741
N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine
CID 62598072
N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
CID 103604960
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62597904
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
N'-hydroxy-4-[2-(3-methylbutylamino)ethoxy]benzenecarboximidamide
CID 77025462
N-[2-(4-bromophenoxy)ethyl]-4-methylpentan-1-amine
CID 55195428

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine (CID 55093446) is N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine is COCCc1ccc(OCCNCCC(C)C)cc1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine?
The InChIKey is GDOQMJUPIGUCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14(2)8-10-17-11-13-19-16-6-4-15(5-7-16)9-12-18-3/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine?
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 55093446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).