2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine

C17H29NO2 — CID 43127467

IUPAC2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCCCCCCOCC(N)c1cc(C)ccc1OC
InChIInChI=1S/C17H29NO2/c1-4-5-6-7-8-11-20-13-16(18)15-12-14(2)9-10-17(15)19-3/h9-10,12,16H,4-8,11,13,18H2,1-3H3
InChIKeyXLAPABHZUPUSLJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.99
Rot. Bonds10

About 2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine

2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 43127467) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID43127467
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCCCCCCOCC(N)c1cc(C)ccc1OC
InChIInChI=1S/C17H29NO2/c1-4-5-6-7-8-11-20-13-16(18)15-12-14(2)9-10-17(15)19-3/h9-10,12,16H,4-8,11,13,18H2,1-3H3
InChIKeyXLAPABHZUPUSLJ-UHFFFAOYSA-N
XLogP3.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.99
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

1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
1-(2,4-dimethylphenyl)-2-octoxyethanamine
CID 43127891
2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200551
1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 115941946
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 103149128
1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine
CID 107758540
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine
CID 102981344
1-(2-methylphenyl)-2-octoxyethanamine
CID 43127875

Frequently Asked Questions

What is the IUPAC name of 2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine (CID 43127467) is 2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine is CCCCCCCOCC(N)c1cc(C)ccc1OC.
What is the InChIKey of 2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is XLAPABHZUPUSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-5-6-7-8-11-20-13-16(18)15-12-14(2)9-10-17(15)19-3/h9-10,12,16H,4-8,11,13,18H2,1-3H3.
What are the key properties of 2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine?
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 43127467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).