[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine

C15H22BrNO — CID 117497539

IUPAC[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
SMILESCOc1c(Br)cc(C)c(C)c1C1(CN)CCCC1
InChIInChI=1S/C15H22BrNO/c1-10-8-12(16)14(18-3)13(11(10)2)15(9-17)6-4-5-7-15/h8H,4-7,9,17H2,1-3H3
InChIKeyJLNYCXQDUFNRNH-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.85
Rot. Bonds3

About [1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine

[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine (PubChem CID 117497539) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
PubChem CID117497539
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
SMILESCOc1c(Br)cc(C)c(C)c1C1(CN)CCCC1
InChIInChI=1S/C15H22BrNO/c1-10-8-12(16)14(18-3)13(11(10)2)15(9-17)6-4-5-7-15/h8H,4-7,9,17H2,1-3H3
InChIKeyJLNYCXQDUFNRNH-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine
CID 117113313
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
CID 117499500
[1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117499969
[1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117423426
[1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 117489270
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449
[1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine
CID 117402949

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine (CID 117497539) is [1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine is COc1c(Br)cc(C)c(C)c1C1(CN)CCCC1.
What is the InChIKey of [1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine?
The InChIKey is JLNYCXQDUFNRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-8-12(16)14(18-3)13(11(10)2)15(9-17)6-4-5-7-15/h8H,4-7,9,17H2,1-3H3.
What are the key properties of [1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine?
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine has a molecular weight of 312.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117497539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).