1-(2-methylphenyl)-2-octoxyethanamine

C17H29NO — CID 43127875

IUPAC1-(2-methylphenyl)-2-octoxyethanamine
SMILESCCCCCCCCOCC(N)c1ccccc1C
InChIInChI=1S/C17H29NO/c1-3-4-5-6-7-10-13-19-14-17(18)16-12-9-8-11-15(16)2/h8-9,11-12,17H,3-7,10,13-14,18H2,1-2H3
InChIKeyQJBPLTUMAYAFFP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.37
Rot. Bonds10

About 1-(2-methylphenyl)-2-octoxyethanamine

1-(2-methylphenyl)-2-octoxyethanamine (PubChem CID 43127875) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-octoxyethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-octoxyethanamine
PubChem CID43127875
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(2-methylphenyl)-2-octoxyethanamine
SMILESCCCCCCCCOCC(N)c1ccccc1C
InChIInChI=1S/C17H29NO/c1-3-4-5-6-7-10-13-19-14-17(18)16-12-9-8-11-15(16)2/h8-9,11-12,17H,3-7,10,13-14,18H2,1-2H3
InChIKeyQJBPLTUMAYAFFP-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-2-octoxyethanamine
CID 43127891
2-heptoxy-1-naphthalen-1-ylethanamine
CID 43127496
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(2-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82788381
N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63474742
2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
CID 43184265
2-pentoxy-1-phenylethanamine
CID 43275081
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
2-heptoxy-1-(3-methylphenyl)ethanamine
CID 61309696

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-octoxyethanamine?
The IUPAC name of 1-(2-methylphenyl)-2-octoxyethanamine (CID 43127875) is 1-(2-methylphenyl)-2-octoxyethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-2-octoxyethanamine?
The canonical SMILES for 1-(2-methylphenyl)-2-octoxyethanamine is CCCCCCCCOCC(N)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-2-octoxyethanamine?
The InChIKey is QJBPLTUMAYAFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-4-5-6-7-10-13-19-14-17(18)16-12-9-8-11-15(16)2/h8-9,11-12,17H,3-7,10,13-14,18H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-octoxyethanamine?
1-(2-methylphenyl)-2-octoxyethanamine has a molecular weight of 263.43 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-octoxyethanamine is sourced from PubChem (CID 43127875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).