[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine

C16H24BrNO — CID 117113313

IUPAC[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine
SMILESCOc1c(C)c(C)c(C2(CN)CCCC2)c(C)c1Br
InChIInChI=1S/C16H24BrNO/c1-10-11(2)15(19-4)14(17)12(3)13(10)16(9-18)7-5-6-8-16/h5-9,18H2,1-4H3
InChIKeyZGTJAAMAUARGFM-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.15
Rot. Bonds3

About [1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine

[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine (PubChem CID 117113313) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is [1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine
PubChem CID117113313
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine
SMILESCOc1c(C)c(C)c(C2(CN)CCCC2)c(C)c1Br
InChIInChI=1S/C16H24BrNO/c1-10-11(2)15(19-4)14(17)12(3)13(10)16(9-18)7-5-6-8-16/h5-9,18H2,1-4H3
InChIKeyZGTJAAMAUARGFM-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropan-1-amine
CID 117112420
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424
[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
CID 117499500
1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine
CID 117118377
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
1-bromo-5-(1-isocyanatocyclopentyl)-2-methoxy-3,4,6-trimethylbenzene
CID 117112671
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906
[1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine
CID 117402949
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine
CID 117116896

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine (CID 117113313) is [1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine is COc1c(C)c(C)c(C2(CN)CCCC2)c(C)c1Br.
What is the InChIKey of [1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine?
The InChIKey is ZGTJAAMAUARGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-10-11(2)15(19-4)14(17)12(3)13(10)16(9-18)7-5-6-8-16/h5-9,18H2,1-4H3.
What are the key properties of [1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine?
[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine has a molecular weight of 326.28 g/mol, XLogP of 4.15, 3 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-2,5,6-trimethylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117113313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).