1-(3-octan-2-yloxyphenyl)ethanamine

C16H27NO — CID 79168344

IUPAC1-(3-octan-2-yloxyphenyl)ethanamine
SMILESCCCCCCC(C)Oc1cccc(C(C)N)c1
InChIInChI=1S/C16H27NO/c1-4-5-6-7-9-13(2)18-16-11-8-10-15(12-16)14(3)17/h8,10-14H,4-7,9,17H2,1-3H3
InChIKeyOKZOZPXGHUULCD-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.44
Rot. Bonds8

About 1-(3-octan-2-yloxyphenyl)ethanamine

1-(3-octan-2-yloxyphenyl)ethanamine (PubChem CID 79168344) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3-octan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-octan-2-yloxyphenyl)ethanamine
PubChem CID79168344
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(3-octan-2-yloxyphenyl)ethanamine
SMILESCCCCCCC(C)Oc1cccc(C(C)N)c1
InChIInChI=1S/C16H27NO/c1-4-5-6-7-9-13(2)18-16-11-8-10-15(12-16)14(3)17/h8,10-14H,4-7,9,17H2,1-3H3
InChIKeyOKZOZPXGHUULCD-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-octan-2-yloxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
3-heptan-2-yloxyaniline
CID 91558266
decan-2-yloxybenzene
CID 12838331
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
1-(3-propan-2-yloxyphenyl)nonylhydrazine
CID 105294357
4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453134
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
1-hexan-2-yloxy-3-methylbenzene
CID 58153502
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
CID 107892276
1-(dibromomethyl)-3-hexadecan-7-yloxybenzene
CID 175149565
5-octan-2-yloxy-2-benzofuran-1,3-dione
CID 139672259

Frequently Asked Questions

What is the IUPAC name of 1-(3-octan-2-yloxyphenyl)ethanamine?
The IUPAC name of 1-(3-octan-2-yloxyphenyl)ethanamine (CID 79168344) is 1-(3-octan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-octan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 1-(3-octan-2-yloxyphenyl)ethanamine is CCCCCCC(C)Oc1cccc(C(C)N)c1.
What is the InChIKey of 1-(3-octan-2-yloxyphenyl)ethanamine?
The InChIKey is OKZOZPXGHUULCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-5-6-7-9-13(2)18-16-11-8-10-15(12-16)14(3)17/h8,10-14H,4-7,9,17H2,1-3H3.
What are the key properties of 1-(3-octan-2-yloxyphenyl)ethanamine?
1-(3-octan-2-yloxyphenyl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-octan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 79168344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).