2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine

C17H29NO3 — CID 63063741

IUPAC2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCCOCCC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-15(2)8-10-20-12-13-21-17-6-4-16(5-7-17)14-18-9-11-19-3/h4-7,15,18H,8-14H2,1-3H3
InChIKeyIGCVOTATYVHMSY-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.86
Rot. Bonds12

About 2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine

2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine (PubChem CID 63063741) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
PubChem CID63063741
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCCOCCC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-15(2)8-10-20-12-13-21-17-6-4-16(5-7-17)14-18-9-11-19-3/h4-7,15,18H,8-14H2,1-3H3
InChIKeyIGCVOTATYVHMSY-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 43254164
N'-[[4-(3-methylbutoxy)phenyl]methyl]propane-1,3-diamine
CID 60888382
N-[(4-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 54798556
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 63477065
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine
CID 55093446
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
CID 82927436
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine (CID 63063741) is 2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine is COCCNCc1ccc(OCCOCCC(C)C)cc1.
What is the InChIKey of 2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is IGCVOTATYVHMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-15(2)8-10-20-12-13-21-17-6-4-16(5-7-17)14-18-9-11-19-3/h4-7,15,18H,8-14H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine?
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 295.42 g/mol, XLogP of 2.86, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63063741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).