N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine

C17H22BrNO2 — CID 115826237

IUPACN-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)c1ccc(Br)o1
InChIInChI=1S/C17H22BrNO2/c1-4-9-19-14(16-7-8-17(18)21-16)11-13-10-12(2)5-6-15(13)20-3/h5-8,10,14,19H,4,9,11H2,1-3H3
InChIKeyBVHFKJIVFFGLFS-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.64
Rot. Bonds7

About N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine

N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine (PubChem CID 115826237) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
PubChem CID115826237
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC NameN-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)c1ccc(Br)o1
InChIInChI=1S/C17H22BrNO2/c1-4-9-19-14(16-7-8-17(18)21-16)11-13-10-12(2)5-6-15(13)20-3/h5-8,10,14,19H,4,9,11H2,1-3H3
InChIKeyBVHFKJIVFFGLFS-UHFFFAOYSA-N
XLogP4.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115817423
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
[1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290206
N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989184
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052766
N-[2-(2-methoxy-5-methylphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82887282
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
[1-(5-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethyl]hydrazine
CID 105297642
N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105412533
N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007868
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine (CID 115826237) is N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)ccc1OC)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The InChIKey is BVHFKJIVFFGLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-4-9-19-14(16-7-8-17(18)21-16)11-13-10-12(2)5-6-15(13)20-3/h5-8,10,14,19H,4,9,11H2,1-3H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine has a molecular weight of 352.27 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115826237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).