[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine

C14H20BrN — CID 84812408

IUPAC[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine
SMILESCc1cc(C2(CN)CCCC2)c(C)cc1Br
InChIInChI=1S/C14H20BrN/c1-10-8-13(15)11(2)7-12(10)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3
InChIKeyRXNLKZLQMKLRIF-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.84
Rot. Bonds2

About [1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine

[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine (PubChem CID 84812408) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is [1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine
PubChem CID84812408
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine
SMILESCc1cc(C2(CN)CCCC2)c(C)cc1Br
InChIInChI=1S/C14H20BrN/c1-10-8-13(15)11(2)7-12(10)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3
InChIKeyRXNLKZLQMKLRIF-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428385
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
[1-(3,3,8-trimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)cyclopentyl]methanamine
CID 117467743
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435
[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117461259
[1-(5-ethyl-2-methylphenyl)cyclopentyl]methanamine
CID 117310072
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine (CID 84812408) is [1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine is Cc1cc(C2(CN)CCCC2)c(C)cc1Br.
What is the InChIKey of [1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine?
The InChIKey is RXNLKZLQMKLRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-8-13(15)11(2)7-12(10)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3.
What are the key properties of [1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine?
[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine has a molecular weight of 282.22 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 84812408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).