1-(5-bromo-2-ethoxyphenyl)propan-1-amine

C11H16BrNO — CID 43243938

IUPAC1-(5-bromo-2-ethoxyphenyl)propan-1-amine
SMILESCCOc1ccc(Br)cc1C(N)CC
InChIInChI=1S/C11H16BrNO/c1-3-10(13)9-7-8(12)5-6-11(9)14-4-2/h5-7,10H,3-4,13H2,1-2H3
InChIKeyJSYNSESODMAJIR-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.26
Rot. Bonds4

About 1-(5-bromo-2-ethoxyphenyl)propan-1-amine

1-(5-bromo-2-ethoxyphenyl)propan-1-amine (PubChem CID 43243938) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)propan-1-amine
PubChem CID43243938
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(5-bromo-2-ethoxyphenyl)propan-1-amine
SMILESCCOc1ccc(Br)cc1C(N)CC
InChIInChI=1S/C11H16BrNO/c1-3-10(13)9-7-8(12)5-6-11(9)14-4-2/h5-7,10H,3-4,13H2,1-2H3
InChIKeyJSYNSESODMAJIR-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
(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
(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
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171262942
1-(5-bromo-2-ethoxyphenyl)-3,5,5-trimethylhexan-1-amine
CID 43311377
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine
CID 63507981

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)propan-1-amine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)propan-1-amine (CID 43243938) is 1-(5-bromo-2-ethoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)propan-1-amine is CCOc1ccc(Br)cc1C(N)CC.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)propan-1-amine?
The InChIKey is JSYNSESODMAJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-10(13)9-7-8(12)5-6-11(9)14-4-2/h5-7,10H,3-4,13H2,1-2H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)propan-1-amine?
1-(5-bromo-2-ethoxyphenyl)propan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)propan-1-amine is sourced from PubChem (CID 43243938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).