1-(4-bromophenyl)-3-ethoxypentan-2-amine

C13H20BrNO — CID 116716310

IUPAC1-(4-bromophenyl)-3-ethoxypentan-2-amine
SMILESCCOC(CC)C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-13(16-4-2)12(15)9-10-5-7-11(14)8-6-10/h5-8,12-13H,3-4,9,15H2,1-2H3
InChIKeyOJKMFMXBZBHATQ-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.13
Rot. Bonds6

About 1-(4-bromophenyl)-3-ethoxypentan-2-amine

1-(4-bromophenyl)-3-ethoxypentan-2-amine (PubChem CID 116716310) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-ethoxypentan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-ethoxypentan-2-amine
PubChem CID116716310
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(4-bromophenyl)-3-ethoxypentan-2-amine
SMILESCCOC(CC)C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-13(16-4-2)12(15)9-10-5-7-11(14)8-6-10/h5-8,12-13H,3-4,9,15H2,1-2H3
InChIKeyOJKMFMXBZBHATQ-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-methoxypentan-2-amine
CID 116715134
1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine
CID 116716220
3-ethoxy-1-(3-methylphenyl)pentan-2-amine
CID 116716414
1-(4-ethylphenyl)-3-methoxypentan-2-amine
CID 116715207
diethyl 2-[(4-bromophenyl)methyl]propanedioate
CID 10860456
1-(3-bromo-4-fluorophenyl)-3-ethoxyhexan-2-amine
CID 116717426
1,1-diethoxy-3-(4-methylphenyl)propan-2-amine
CID 79495466
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032
3-(4-chlorophenyl)-1,1-diethoxypropan-2-amine
CID 79496455
3-ethoxy-1-pyridin-2-ylpentan-2-amine
CID 116716297
(4R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal
CID 145170937
1-bromo-4-[(2R)-1-(4-chlorophenyl)-3-ethoxyhex-5-en-2-yl]benzene
CID 145171014

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-ethoxypentan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-ethoxypentan-2-amine (CID 116716310) is 1-(4-bromophenyl)-3-ethoxypentan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-ethoxypentan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-ethoxypentan-2-amine is CCOC(CC)C(N)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-ethoxypentan-2-amine?
The InChIKey is OJKMFMXBZBHATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-13(16-4-2)12(15)9-10-5-7-11(14)8-6-10/h5-8,12-13H,3-4,9,15H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-ethoxypentan-2-amine?
1-(4-bromophenyl)-3-ethoxypentan-2-amine has a molecular weight of 286.21 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-ethoxypentan-2-amine is sourced from PubChem (CID 116716310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).