N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine

C16H20BrNO3 — CID 43495206

IUPACN-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)o1)c1cc(OC)ccc1OC
InChIInChI=1S/C16H20BrNO3/c1-4-9-18-16(14-7-8-15(17)21-14)12-10-11(19-2)5-6-13(12)20-3/h5-8,10,16,18H,4,9H2,1-3H3
InChIKeyZWJIUJZDRCTRSI-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.15
Rot. Bonds7

About N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine

N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine (PubChem CID 43495206) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
PubChem CID43495206
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC NameN-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)o1)c1cc(OC)ccc1OC
InChIInChI=1S/C16H20BrNO3/c1-4-9-18-16(14-7-8-15(17)21-14)12-10-11(19-2)5-6-13(12)20-3/h5-8,10,16,18H,4,9H2,1-3H3
InChIKeyZWJIUJZDRCTRSI-UHFFFAOYSA-N
XLogP4.15
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490697
N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106684608
N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 54920080
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
N-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43493888
1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 60787977
2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
CID 79308493
N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820042
N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 106684326
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317
N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 115826237

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine (CID 43495206) is N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)o1)c1cc(OC)ccc1OC.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is ZWJIUJZDRCTRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-4-9-18-16(14-7-8-15(17)21-14)12-10-11(19-2)5-6-13(12)20-3/h5-8,10,16,18H,4,9H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine?
N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 354.24 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).