1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine

C14H20BrNO — CID 117480650

IUPAC1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
SMILESCOc1c(C)cc(Br)c(C)c1C1(N)CCCC1
InChIInChI=1S/C14H20BrNO/c1-9-8-11(15)10(2)12(13(9)17-3)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3
InChIKeyQVYHCKJBAZUBHF-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.80
Rot. Bonds2

About 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine

1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine (PubChem CID 117480650) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
PubChem CID117480650
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
SMILESCOc1c(C)cc(Br)c(C)c1C1(N)CCCC1
InChIInChI=1S/C14H20BrNO/c1-9-8-11(15)10(2)12(13(9)17-3)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3
InChIKeyQVYHCKJBAZUBHF-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol
CID 117432726
1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117499521
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472
1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
CID 117483815
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
CID 117499856
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84780719
2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117480566
2-(1-aminocyclobutyl)-4-bromo-6-methoxy-3-methylphenol
CID 117461200
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine (CID 117480650) is 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine is COc1c(C)cc(Br)c(C)c1C1(N)CCCC1.
What is the InChIKey of 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine?
The InChIKey is QVYHCKJBAZUBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-8-11(15)10(2)12(13(9)17-3)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine?
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117480650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).