[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine

C15H22BrNO — CID 117497551

IUPAC[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCOc1c(Br)cc(C2(CN)CCC2)cc1C(C)C
InChIInChI=1S/C15H22BrNO/c1-10(2)12-7-11(8-13(16)14(12)18-3)15(9-17)5-4-6-15/h7-8,10H,4-6,9,17H2,1-3H3
InChIKeyBRQDQHWUCRRZJZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.96
Rot. Bonds4

About [1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine

[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine (PubChem CID 117497551) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine
PubChem CID117497551
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCOc1c(Br)cc(C2(CN)CCC2)cc1C(C)C
InChIInChI=1S/C15H22BrNO/c1-10(2)12-7-11(8-13(16)14(12)18-3)15(9-17)5-4-6-15/h7-8,10H,4-6,9,17H2,1-3H3
InChIKeyBRQDQHWUCRRZJZ-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117339009
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117408717
[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117371901
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine
CID 117441153
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903
1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
CID 117463259
[1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117449610
[1-(3-bromo-4-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117461520

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine (CID 117497551) is [1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine is COc1c(Br)cc(C2(CN)CCC2)cc1C(C)C.
What is the InChIKey of [1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine?
The InChIKey is BRQDQHWUCRRZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10(2)12-7-11(8-13(16)14(12)18-3)15(9-17)5-4-6-15/h7-8,10H,4-6,9,17H2,1-3H3.
What are the key properties of [1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine?
[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine has a molecular weight of 312.25 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117497551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).