(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride

C15H23BrClNO — CID 171206520

IUPAC(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@H](N)C1CCCCC1.Cl
InChIInChI=1S/C15H22BrNO.ClH/c1-2-18-14-9-8-12(16)10-13(14)15(17)11-6-4-3-5-7-11;/h8-11,15H,2-7,17H2,1H3;1H/t15-;/m1./s1
InChIKeyNWAKZLMUUUSLOC-XFULWGLBSA-N
MW348.71 g/mol
LogP4.85
Rot. Bonds4

About (R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride

(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride (PubChem CID 171206520) has the molecular formula C15H23BrClNO and a molecular weight of 348.71 g/mol. Its IUPAC name is (R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
PubChem CID171206520
Molecular FormulaC15H23BrClNO
Molecular Weight348.71 g/mol
Exact Mass347.07
IUPAC Name(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@H](N)C1CCCCC1.Cl
InChIInChI=1S/C15H22BrNO.ClH/c1-2-18-14-9-8-12(16)10-13(14)15(17)11-6-4-3-5-7-11;/h8-11,15H,2-7,17H2,1H3;1H/t15-;/m1./s1
InChIKeyNWAKZLMUUUSLOC-XFULWGLBSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
(1R,2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)-1-cyclobutylethanol
CID 171268602
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
CID 171208037
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene
CID 63442485
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclobutylmethanamine
CID 171227613

Frequently Asked Questions

What is the IUPAC name of (R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride?
The IUPAC name of (R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride (CID 171206520) is (R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride?
The canonical SMILES for (R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride is CCOc1ccc(Br)cc1[C@H](N)C1CCCCC1.Cl.
What is the InChIKey of (R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride?
The InChIKey is NWAKZLMUUUSLOC-XFULWGLBSA-N. The full InChI is InChI=1S/C15H22BrNO.ClH/c1-2-18-14-9-8-12(16)10-13(14)15(17)11-6-4-3-5-7-11;/h8-11,15H,2-7,17H2,1H3;1H/t15-;/m1./s1.
What are the key properties of (R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride?
(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride has a molecular weight of 348.71 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride is sourced from PubChem (CID 171206520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).