(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine

C13H18BrNO — CID 131313230

IUPAC(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
SMILESCOc1ccc(Br)c([C@H](N)C2CCCC2)c1
InChIInChI=1S/C13H18BrNO/c1-16-10-6-7-12(14)11(8-10)13(15)9-4-2-3-5-9/h6-9,13H,2-5,15H2,1H3/t13-/m1/s1
InChIKeyGAEZRNJPXMANEO-CYBMUJFWSA-N
MW284.20 g/mol
LogP3.65
Rot. Bonds3

About (R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine

(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine (PubChem CID 131313230) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine.

Molecular Properties

Compound Name(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
PubChem CID131313230
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
SMILESCOc1ccc(Br)c([C@H](N)C2CCCC2)c1
InChIInChI=1S/C13H18BrNO/c1-16-10-6-7-12(14)11(8-10)13(15)9-4-2-3-5-9/h6-9,13H,2-5,15H2,1H3/t13-/m1/s1
InChIKeyGAEZRNJPXMANEO-CYBMUJFWSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
(R)-(2-bromo-5-methoxyphenyl)-cyclopropylmethanamine
CID 130690671
(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
CID 3340478
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
[(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine
CID 105330710
(2-bromo-5-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166248
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171257666
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol
CID 131272939

Frequently Asked Questions

What is the IUPAC name of (R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine?
The IUPAC name of (R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine (CID 131313230) is (R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine.
What is the SMILES notation for (R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine?
The canonical SMILES for (R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine is COc1ccc(Br)c([C@H](N)C2CCCC2)c1.
What is the InChIKey of (R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine?
The InChIKey is GAEZRNJPXMANEO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-10-6-7-12(14)11(8-10)13(15)9-4-2-3-5-9/h6-9,13H,2-5,15H2,1H3/t13-/m1/s1.
What are the key properties of (R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine?
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine has a molecular weight of 284.20 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine is sourced from PubChem (CID 131313230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).