6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide

C14H21BrN2O2 — CID 65433741

IUPAC6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide
SMILESCOc1cc(C)c(Br)cc1C(N)CCCCC(N)=O
InChIInChI=1S/C14H21BrN2O2/c1-9-7-13(19-2)10(8-11(9)15)12(16)5-3-4-6-14(17)18/h7-8,12H,3-6,16H2,1-2H3,(H2,17,18)
InChIKeyZFIPSSSVMLUZDW-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.81
Rot. Bonds7

About 6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide

6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide (PubChem CID 65433741) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide
PubChem CID65433741
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide
SMILESCOc1cc(C)c(Br)cc1C(N)CCCCC(N)=O
InChIInChI=1S/C14H21BrN2O2/c1-9-7-13(19-2)10(8-11(9)15)12(16)5-3-4-6-14(17)18/h7-8,12H,3-6,16H2,1-2H3,(H2,17,18)
InChIKeyZFIPSSSVMLUZDW-UHFFFAOYSA-N
XLogP2.81
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.81
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

methyl 5-amino-5-(5-bromo-2-methoxy-4-methylphenyl)pentanoate
CID 65434125
methyl 6-amino-6-(4-bromo-2,5-dimethoxyphenyl)hexanoate
CID 105056901
6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide
CID 62865517
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
5-amino-5-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
CID 103394885
1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine
CID 65439927
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine
CID 65439926
6-amino-6-(2-chloro-4,5-dimethoxyphenyl)hexanoic acid
CID 43447011
1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene
CID 65433776
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
CID 65433149
3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide
CID 54935342

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide?
The IUPAC name of 6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide (CID 65433741) is 6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide.
What is the SMILES notation for 6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide?
The canonical SMILES for 6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide is COc1cc(C)c(Br)cc1C(N)CCCCC(N)=O.
What is the InChIKey of 6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide?
The InChIKey is ZFIPSSSVMLUZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-9-7-13(19-2)10(8-11(9)15)12(16)5-3-4-6-14(17)18/h7-8,12H,3-6,16H2,1-2H3,(H2,17,18).
What are the key properties of 6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide?
6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide has a molecular weight of 329.24 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide is sourced from PubChem (CID 65433741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).