6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide

C14H21FN2O3 — CID 62865517

IUPAC6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide
SMILESCOc1cc(F)c(C(N)CCCCC(N)=O)cc1OC
InChIInChI=1S/C14H21FN2O3/c1-19-12-7-9(10(15)8-13(12)20-2)11(16)5-3-4-6-14(17)18/h7-8,11H,3-6,16H2,1-2H3,(H2,17,18)
InChIKeyMDCKJAGAZVFXOC-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.89
Rot. Bonds8

About 6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide

6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide (PubChem CID 62865517) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide
PubChem CID62865517
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide
SMILESCOc1cc(F)c(C(N)CCCCC(N)=O)cc1OC
InChIInChI=1S/C14H21FN2O3/c1-19-12-7-9(10(15)8-13(12)20-2)11(16)5-3-4-6-14(17)18/h7-8,11H,3-6,16H2,1-2H3,(H2,17,18)
InChIKeyMDCKJAGAZVFXOC-UHFFFAOYSA-N
XLogP1.89
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171213964
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
CID 60860844
5-amino-5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentanamide
CID 62942200
4-amino-4-(4-fluoro-2,5-dimethoxyphenyl)butanoic acid
CID 117395965
6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide
CID 65433741
6-amino-6-(2-chloro-4,5-dimethoxyphenyl)hexanoic acid
CID 43447011
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
5-amino-5-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
CID 103394885
4-amino-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 115005610
4-amino-4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]butanoic acid
CID 117467139
ethyl 6-amino-6-(2-fluoro-4-methoxyphenyl)hexanoate
CID 60861338

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide?
The IUPAC name of 6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide (CID 62865517) is 6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide.
What is the SMILES notation for 6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide?
The canonical SMILES for 6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide is COc1cc(F)c(C(N)CCCCC(N)=O)cc1OC.
What is the InChIKey of 6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide?
The InChIKey is MDCKJAGAZVFXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-19-12-7-9(10(15)8-13(12)20-2)11(16)5-3-4-6-14(17)18/h7-8,11H,3-6,16H2,1-2H3,(H2,17,18).
What are the key properties of 6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide?
6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide has a molecular weight of 284.33 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide is sourced from PubChem (CID 62865517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).