(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine

C15H22BrNO2 — CID 43118233

IUPAC(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
SMILESCOc1cc(Br)c(C(N)C2CCCCC2)cc1OC
InChIInChI=1S/C15H22BrNO2/c1-18-13-8-11(12(16)9-14(13)19-2)15(17)10-6-4-3-5-7-10/h8-10,15H,3-7,17H2,1-2H3
InChIKeyBCSSJFOBZIGNFH-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.05
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine

(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine (PubChem CID 43118233) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
PubChem CID43118233
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
SMILESCOc1cc(Br)c(C(N)C2CCCCC2)cc1OC
InChIInChI=1S/C15H22BrNO2/c1-18-13-8-11(12(16)9-14(13)19-2)15(17)10-6-4-3-5-7-10/h8-10,15H,3-7,17H2,1-2H3
InChIKeyBCSSJFOBZIGNFH-UHFFFAOYSA-N
XLogP4.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine
CID 65440297
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 63509267
(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171215506
(1R,2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)-1-cyclobutylethanol;hydrochloride
CID 171266633
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol
CID 171212893
(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4661374
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine (CID 43118233) is (2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine is COc1cc(Br)c(C(N)C2CCCCC2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine?
The InChIKey is BCSSJFOBZIGNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-18-13-8-11(12(16)9-14(13)19-2)15(17)10-6-4-3-5-7-10/h8-10,15H,3-7,17H2,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine?
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine has a molecular weight of 328.25 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine is sourced from PubChem (CID 43118233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).