6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide

C13H19FN2O2 — CID 60860844

IUPAC6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
SMILESCOc1ccc(C(N)CCCCC(N)=O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-18-12-7-6-9(8-10(12)14)11(15)4-2-3-5-13(16)17/h6-8,11H,2-5,15H2,1H3,(H2,16,17)
InChIKeyVMAFMUJIDRRYOB-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.88
Rot. Bonds7

About 6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide

6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide (PubChem CID 60860844) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
PubChem CID60860844
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
SMILESCOc1ccc(C(N)CCCCC(N)=O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-18-12-7-6-9(8-10(12)14)11(15)4-2-3-5-13(16)17/h6-8,11H,2-5,15H2,1H3,(H2,16,17)
InChIKeyVMAFMUJIDRRYOB-UHFFFAOYSA-N
XLogP1.88
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 65096717
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide
CID 62934355
4-ethylsulfonyl-1-(3-fluoro-4-methoxyphenyl)butan-1-amine
CID 104986185
6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide
CID 62865517
ethyl 6-amino-6-(3,4-dimethoxyphenyl)hexanoate
CID 60860322
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide?
The IUPAC name of 6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide (CID 60860844) is 6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide.
What is the SMILES notation for 6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide?
The canonical SMILES for 6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide is COc1ccc(C(N)CCCCC(N)=O)cc1F.
What is the InChIKey of 6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide?
The InChIKey is VMAFMUJIDRRYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-18-12-7-6-9(8-10(12)14)11(15)4-2-3-5-13(16)17/h6-8,11H,2-5,15H2,1H3,(H2,16,17).
What are the key properties of 6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide?
6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide has a molecular weight of 254.30 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide is sourced from PubChem (CID 60860844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).