(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride

C11H17BrClNO — CID 171226068

IUPAC(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@@H](N)CC.Cl
InChIInChI=1S/C11H16BrNO.ClH/c1-3-10(13)9-7-8(12)5-6-11(9)14-4-2;/h5-7,10H,3-4,13H2,1-2H3;1H/t10-;/m0./s1
InChIKeyRRUKMHIWZHXTPH-PPHPATTJSA-N
MW294.62 g/mol
LogP3.68
Rot. Bonds4

About (1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride

(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171226068) has the molecular formula C11H17BrClNO and a molecular weight of 294.62 g/mol. Its IUPAC name is (1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171226068
Molecular FormulaC11H17BrClNO
Molecular Weight294.62 g/mol
Exact Mass293.02
IUPAC Name(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
SMILESCCOc1ccc(Br)cc1[C@@H](N)CC.Cl
InChIInChI=1S/C11H16BrNO.ClH/c1-3-10(13)9-7-8(12)5-6-11(9)14-4-2;/h5-7,10H,3-4,13H2,1-2H3;1H/t10-;/m0./s1
InChIKeyRRUKMHIWZHXTPH-PPHPATTJSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.62
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
(3R)-3-amino-3-(5-bromo-2-ethoxyphenyl)propanenitrile;hydrochloride
CID 171260462
3-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 53417383
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171262942
(1S)-1-(5-bromo-2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171226083
1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937
(2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)acetonitrile
CID 131128388
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
(3S)-3-amino-3-(5-bromo-2-ethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241804
1-(5-bromo-2-ethoxyphenyl)-3,5,5-trimethylhexan-1-amine
CID 43311377

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride (CID 171226068) is (1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride is CCOc1ccc(Br)cc1[C@@H](N)CC.Cl.
What is the InChIKey of (1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is RRUKMHIWZHXTPH-PPHPATTJSA-N. The full InChI is InChI=1S/C11H16BrNO.ClH/c1-3-10(13)9-7-8(12)5-6-11(9)14-4-2;/h5-7,10H,3-4,13H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride?
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 294.62 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171226068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).