(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine

C18H30FNO — CID 63486431

IUPAC(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
SMILESCCCCCCCCCCOc1cc(F)ccc1[C@@H](C)N
InChIInChI=1S/C18H30FNO/c1-3-4-5-6-7-8-9-10-13-21-18-14-16(19)11-12-17(18)15(2)20/h11-12,14-15H,3-10,13,20H2,1-2H3/t15-/m1/s1
InChIKeyDGDWUVJPYGCWQJ-OAHLLOKOSA-N
MW295.44 g/mol
LogP5.36
Rot. Bonds11

About (1R)-1-(2-decoxy-4-fluorophenyl)ethanamine

(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine (PubChem CID 63486431) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is (1R)-1-(2-decoxy-4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
PubChem CID63486431
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
SMILESCCCCCCCCCCOc1cc(F)ccc1[C@@H](C)N
InChIInChI=1S/C18H30FNO/c1-3-4-5-6-7-8-9-10-13-21-18-14-16(19)11-12-17(18)15(2)20/h11-12,14-15H,3-10,13,20H2,1-2H3/t15-/m1/s1
InChIKeyDGDWUVJPYGCWQJ-OAHLLOKOSA-N
XLogP5.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.44
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-(2-decoxy-4-fluorophenyl)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

(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
CID 102946514
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
4-fluoro-2-octoxyaniline
CID 43128998
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
1,4-difluoro-2-hexoxybenzene
CID 23437312
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-decoxy-4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-1-(2-decoxy-4-fluorophenyl)ethanamine (CID 63486431) is (1R)-1-(2-decoxy-4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-decoxy-4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-decoxy-4-fluorophenyl)ethanamine is CCCCCCCCCCOc1cc(F)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(2-decoxy-4-fluorophenyl)ethanamine?
The InChIKey is DGDWUVJPYGCWQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30FNO/c1-3-4-5-6-7-8-9-10-13-21-18-14-16(19)11-12-17(18)15(2)20/h11-12,14-15H,3-10,13,20H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-(2-decoxy-4-fluorophenyl)ethanamine?
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine has a molecular weight of 295.44 g/mol, XLogP of 5.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-decoxy-4-fluorophenyl)ethanamine is sourced from PubChem (CID 63486431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).