(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine

C15H22BrNO — CID 43311323

IUPAC(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
SMILESCCOc1ccc(Br)cc1C(N)C1CCCCC1
InChIInChI=1S/C15H22BrNO/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
InChIKeyQLFMRUYCAASIPS-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.43
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine

(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine (PubChem CID 43311323) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
PubChem CID43311323
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
SMILESCCOc1ccc(Br)cc1C(N)C1CCCCC1
InChIInChI=1S/C15H22BrNO/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
InChIKeyQLFMRUYCAASIPS-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520
(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-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
CID 171208037
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
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
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine (CID 43311323) is (5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine is CCOc1ccc(Br)cc1C(N)C1CCCCC1.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine?
The InChIKey is QLFMRUYCAASIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/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.
What are the key properties of (5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine?
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine has a molecular weight of 312.25 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine is sourced from PubChem (CID 43311323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).