2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol

C16H24BrNO3 — CID 61047473

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol
SMILESCOc1cc(Br)c(C(CO)NC2CCCCC2)cc1OC
InChIInChI=1S/C16H24BrNO3/c1-20-15-8-12(13(17)9-16(15)21-2)14(10-19)18-11-6-4-3-5-7-11/h8-9,11,14,18-19H,3-7,10H2,1-2H3
InChIKeyRUFWGVDNAUPADX-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.42
Rot. Bonds6

About 2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol

2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol (PubChem CID 61047473) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol
PubChem CID61047473
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol
SMILESCOc1cc(Br)c(C(CO)NC2CCCCC2)cc1OC
InChIInChI=1S/C16H24BrNO3/c1-20-15-8-12(13(17)9-16(15)21-2)14(10-19)18-11-6-4-3-5-7-11/h8-9,11,14,18-19H,3-7,10H2,1-2H3
InChIKeyRUFWGVDNAUPADX-UHFFFAOYSA-N
XLogP3.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol
CID 61056380
2-(cycloheptylamino)-2-(2-methoxyphenyl)ethanol
CID 61055556
2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 116859310
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
CID 61056168
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 63509267
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056542
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162910
1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 62065826
(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol
CID 105056972
2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol
CID 54977603

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol (CID 61047473) is 2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol is COc1cc(Br)c(C(CO)NC2CCCCC2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol?
The InChIKey is RUFWGVDNAUPADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-20-15-8-12(13(17)9-16(15)21-2)14(10-19)18-11-6-4-3-5-7-11/h8-9,11,14,18-19H,3-7,10H2,1-2H3.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol?
2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol has a molecular weight of 358.28 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol is sourced from PubChem (CID 61047473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).