N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine

C14H22BrNO2 — CID 65303163

IUPACN-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-3-7-16-8-10-18-9-6-12-4-5-14(17-2)13(15)11-12/h4-5,11,16H,3,6-10H2,1-2H3
InChIKeyMFFUVJNDBBOJPM-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.02
Rot. Bonds9

About N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine

N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine (PubChem CID 65303163) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine
PubChem CID65303163
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC NameN-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-3-7-16-8-10-18-9-6-12-4-5-14(17-2)13(15)11-12/h4-5,11,16H,3,6-10H2,1-2H3
InChIKeyMFFUVJNDBBOJPM-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine
CID 65303014
N-[(3-bromo-4-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732722
N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65302821
2-[(3-bromo-4-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 62531151
1-(3-bromo-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562954
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
N-[[3-bromo-4-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106450099
2-[[2-(3-bromo-4-methoxyphenyl)ethylamino]methyl]butan-1-ol
CID 115250998
N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine
CID 65303301
N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 104662902

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine (CID 65303163) is N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine is CCCNCCOCCc1ccc(OC)c(Br)c1.
What is the InChIKey of N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine?
The InChIKey is MFFUVJNDBBOJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-3-7-16-8-10-18-9-6-12-4-5-14(17-2)13(15)11-12/h4-5,11,16H,3,6-10H2,1-2H3.
What are the key properties of N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine?
N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine has a molecular weight of 316.24 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 65303163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).