2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol

C15H22BrNO — CID 117497312

IUPAC2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol
SMILESCc1c(Br)cc(C(C)C)c(O)c1C1(N)CCCC1
InChIInChI=1S/C15H22BrNO/c1-9(2)11-8-12(16)10(3)13(14(11)18)15(17)6-4-5-7-15/h8-9,18H,4-7,17H2,1-3H3
InChIKeyPUUFOXXOEBANRG-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.31
Rot. Bonds2

About 2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol

2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol (PubChem CID 117497312) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol
PubChem CID117497312
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol
SMILESCc1c(Br)cc(C(C)C)c(O)c1C1(N)CCCC1
InChIInChI=1S/C15H22BrNO/c1-9(2)11-8-12(16)10(3)13(14(11)18)15(17)6-4-5-7-15/h8-9,18H,4-7,17H2,1-3H3
InChIKeyPUUFOXXOEBANRG-UHFFFAOYSA-N
XLogP4.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclobutyl)-4-chloro-3-methyl-6-propan-2-ylphenol
CID 117387590
2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol
CID 117408731
2-(1-aminocyclobutyl)-4-bromo-6-methoxy-3-methylphenol
CID 117461200
1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
CID 117483815
2-(1-aminocyclohexyl)-4-bromo-3,5,6-trimethylphenol
CID 117114628
4-(1-aminocyclohexyl)-2,3,5-trimethylphenol
CID 117114620
4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol
CID 117481982
2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
CID 117352045
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
2-(5-bromo-2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-oxoacetic acid
CID 117484747

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol?
The IUPAC name of 2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol (CID 117497312) is 2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol is Cc1c(Br)cc(C(C)C)c(O)c1C1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol?
The InChIKey is PUUFOXXOEBANRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-9(2)11-8-12(16)10(3)13(14(11)18)15(17)6-4-5-7-15/h8-9,18H,4-7,17H2,1-3H3.
What are the key properties of 2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol?
2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol has a molecular weight of 312.25 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 117497312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).