5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide

C13H19BrN2O2 — CID 62941286

IUPAC5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide
SMILESCOc1ccc(C(N)CC(C)CC(N)=O)cc1Br
InChIInChI=1S/C13H19BrN2O2/c1-8(6-13(16)17)5-11(15)9-3-4-12(18-2)10(14)7-9/h3-4,7-8,11H,5-6,15H2,1-2H3,(H2,16,17)
InChIKeyFWXCOTCYYNWETF-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.36
Rot. Bonds6

About 5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide

5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide (PubChem CID 62941286) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide
PubChem CID62941286
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide
SMILESCOc1ccc(C(N)CC(C)CC(N)=O)cc1Br
InChIInChI=1S/C13H19BrN2O2/c1-8(6-13(16)17)5-11(15)9-3-4-12(18-2)10(14)7-9/h3-4,7-8,11H,5-6,15H2,1-2H3,(H2,16,17)
InChIKeyFWXCOTCYYNWETF-UHFFFAOYSA-N
XLogP2.36
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide
CID 62941461
methyl (3S)-3-amino-3-(3-bromo-4-methoxyphenyl)propanoate
CID 93454839
3-amino-3-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
CID 162344286
(1S)-1-(3-bromo-4-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313051
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474
5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide
CID 62941644
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
methyl 5-amino-5-(3-chloro-4-methoxyphenyl)-3-methylpentanoate
CID 62941825
5-amino-3-methyl-5-(4-methylphenyl)pentanamide
CID 62934157
(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
CID 95466503
ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate
CID 62941655

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide?
The IUPAC name of 5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide (CID 62941286) is 5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for 5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide?
The canonical SMILES for 5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide is COc1ccc(C(N)CC(C)CC(N)=O)cc1Br.
What is the InChIKey of 5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide?
The InChIKey is FWXCOTCYYNWETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-8(6-13(16)17)5-11(15)9-3-4-12(18-2)10(14)7-9/h3-4,7-8,11H,5-6,15H2,1-2H3,(H2,16,17).
What are the key properties of 5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide?
5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide has a molecular weight of 315.21 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 62941286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).