N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride

C11H17BrClNO — CID 17292192

IUPACN-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1cc(Br)ccc1OCC.Cl
InChIInChI=1S/C11H16BrNO.ClH/c1-3-13-8-9-7-10(12)5-6-11(9)14-4-2;/h5-7,13H,3-4,8H2,1-2H3;1H
InChIKeyIHSQRWICIBNZTO-UHFFFAOYSA-N
MW294.62 g/mol
LogP3.38
Rot. Bonds5

About N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride

N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17292192) has the molecular formula C11H17BrClNO and a molecular weight of 294.62 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID17292192
Molecular FormulaC11H17BrClNO
Molecular Weight294.62 g/mol
Exact Mass293.02
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1cc(Br)ccc1OCC.Cl
InChIInChI=1S/C11H16BrNO.ClH/c1-3-13-8-9-7-10(12)5-6-11(9)14-4-2;/h5-7,13H,3-4,8H2,1-2H3;1H
InChIKeyIHSQRWICIBNZTO-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.62
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 2983714
2-[2-[4-bromo-2-(ethylaminomethyl)phenoxy]ethoxy]ethanol
CID 61069948
N-[[5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 112588014
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 6457831
1-(1,3-benzodioxol-5-yl)-N-[(5-bromo-2-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 17291869
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 60882928
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 60883674
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 43277522
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
N-[[5-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 43525012

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride (CID 17292192) is N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride is CCNCc1cc(Br)ccc1OCC.Cl.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is IHSQRWICIBNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO.ClH/c1-3-13-8-9-7-10(12)5-6-11(9)14-4-2;/h5-7,13H,3-4,8H2,1-2H3;1H.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride?
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 294.62 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17292192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).