2-(3-bromophenyl)-5-ethoxypentan-1-amine

C13H20BrNO — CID 79442547

IUPAC2-(3-bromophenyl)-5-ethoxypentan-1-amine
SMILESCCOCCCC(CN)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-2-16-8-4-6-12(10-15)11-5-3-7-13(14)9-11/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3
InChIKeyJXZJYHORHOHRGS-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.31
Rot. Bonds7

About 2-(3-bromophenyl)-5-ethoxypentan-1-amine

2-(3-bromophenyl)-5-ethoxypentan-1-amine (PubChem CID 79442547) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-ethoxypentan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-ethoxypentan-1-amine
PubChem CID79442547
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-(3-bromophenyl)-5-ethoxypentan-1-amine
SMILESCCOCCCC(CN)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO/c1-2-16-8-4-6-12(10-15)11-5-3-7-13(14)9-11/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3
InChIKeyJXZJYHORHOHRGS-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544
2-(3-bromophenyl)-4-phenoxybutan-1-amine
CID 79442992
1-(1-bromo-5-ethoxypentan-2-yl)-3-chlorobenzene
CID 79430327
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
2-(3-bromophenyl)-4-ethylhexan-1-amine
CID 82929806
(4S)-5-amino-4-(3-bromophenyl)pentan-2-one
CID 166707434
2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412633
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
1-bromo-3-(1-bromoheptan-2-yl)benzene
CID 79433772
2-(3-bromophenyl)-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617877

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-ethoxypentan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-5-ethoxypentan-1-amine (CID 79442547) is 2-(3-bromophenyl)-5-ethoxypentan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-5-ethoxypentan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-5-ethoxypentan-1-amine is CCOCCCC(CN)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-5-ethoxypentan-1-amine?
The InChIKey is JXZJYHORHOHRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-2-16-8-4-6-12(10-15)11-5-3-7-13(14)9-11/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3.
What are the key properties of 2-(3-bromophenyl)-5-ethoxypentan-1-amine?
2-(3-bromophenyl)-5-ethoxypentan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-ethoxypentan-1-amine is sourced from PubChem (CID 79442547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).