N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine

C15H18BrNO2 — CID 54920080

IUPACN-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1ccc(OC)cc1Br
InChIInChI=1S/C15H18BrNO2/c1-3-8-17-15(14-5-4-9-19-14)12-7-6-11(18-2)10-13(12)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyMGUYPGJICUFYKE-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.14
Rot. Bonds6

About N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine

N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 54920080) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID54920080
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1ccc(OC)cc1Br
InChIInChI=1S/C15H18BrNO2/c1-3-8-17-15(14-5-4-9-19-14)12-7-6-11(18-2)10-13(12)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyMGUYPGJICUFYKE-UHFFFAOYSA-N
XLogP4.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568
N-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43493888
N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43562069
1-(2-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
CID 43497829
1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine
CID 60787472
N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 55135149
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243
N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43495206
N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 107991862
N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496085
N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81290836

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine (CID 54920080) is N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccco1)c1ccc(OC)cc1Br.
What is the InChIKey of N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is MGUYPGJICUFYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-3-8-17-15(14-5-4-9-19-14)12-7-6-11(18-2)10-13(12)16/h4-7,9-10,15,17H,3,8H2,1-2H3.
What are the key properties of N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine?
N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine has a molecular weight of 324.22 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 54920080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).