(1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride

C12H18BrCl2NO2 — CID 155595709

IUPAC(1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1cc([C@@H](C)N)c(Cl)c(OCC)c1Br.Cl
InChIInChI=1S/C12H17BrClNO2.ClH/c1-4-16-9-6-8(7(3)15)11(14)12(10(9)13)17-5-2;/h6-7H,4-5,15H2,1-3H3;1H/t7-;/m1./s1
InChIKeyQMNCFGKYQQYVPB-OGFXRTJISA-N
MW359.09 g/mol
LogP4.34
Rot. Bonds5

About (1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride

(1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride (PubChem CID 155595709) has the molecular formula C12H18BrCl2NO2 and a molecular weight of 359.09 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride
PubChem CID155595709
Molecular FormulaC12H18BrCl2NO2
Molecular Weight359.09 g/mol
Exact Mass356.99
IUPAC Name(1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1cc([C@@H](C)N)c(Cl)c(OCC)c1Br.Cl
InChIInChI=1S/C12H17BrClNO2.ClH/c1-4-16-9-6-8(7(3)15)11(14)12(10(9)13)17-5-2;/h6-7H,4-5,15H2,1-3H3;1H/t7-;/m1./s1
InChIKeyQMNCFGKYQQYVPB-OGFXRTJISA-N
XLogP4.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.09
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163283846
ethyl 4-bromo-2-chloro-3,5-diethoxybenzoate
CID 155595638
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride
CID 163284852
(1R)-1-(2-bromo-4,5-diethoxyphenyl)propan-1-amine
CID 82759031
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
1-(4-chloro-2,5-dipropoxyphenyl)ethanamine
CID 82551629
1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride (CID 155595709) is (1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride is CCOc1cc([C@@H](C)N)c(Cl)c(OCC)c1Br.Cl.
What is the InChIKey of (1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is QMNCFGKYQQYVPB-OGFXRTJISA-N. The full InChI is InChI=1S/C12H17BrClNO2.ClH/c1-4-16-9-6-8(7(3)15)11(14)12(10(9)13)17-5-2;/h6-7H,4-5,15H2,1-3H3;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride?
(1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 359.09 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 155595709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).