N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine

C16H20BrNO2 — CID 114820042

IUPACN-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)c1cc(Br)ccc1OC
InChIInChI=1S/C16H20BrNO2/c1-4-7-18-16(12-8-11(2)20-10-12)14-9-13(17)5-6-15(14)19-3/h5-6,8-10,16,18H,4,7H2,1-3H3
InChIKeyHFZHZZXXWCACIL-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.45
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine

N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 114820042) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID114820042
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1coc(C)c1)c1cc(Br)ccc1OC
InChIInChI=1S/C16H20BrNO2/c1-4-7-18-16(12-8-11(2)20-10-12)14-9-13(17)5-6-15(14)19-3/h5-6,8-10,16,18H,4,7H2,1-3H3
InChIKeyHFZHZZXXWCACIL-UHFFFAOYSA-N
XLogP4.45
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820102
N-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43493888
N-[(5-bromo-2-methoxyphenyl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 107960800
N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43493887
N-[(2-methoxy-3,4-dimethylphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 103435182
N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792512
N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43487907
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
CID 43493875
N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566
N-[(5-bromo-2-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43494987
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 115861901

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine (CID 114820042) is N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1coc(C)c1)c1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is HFZHZZXXWCACIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-4-7-18-16(12-8-11(2)20-10-12)14-9-13(17)5-6-15(14)19-3/h5-6,8-10,16,18H,4,7H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine?
N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114820042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).