N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine

C15H17Br2NO — CID 43495287

IUPACN-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1Br)c1ccoc1C
InChIInChI=1S/C15H17Br2NO/c1-3-7-18-15(12-6-8-19-10(12)2)13-9-11(16)4-5-14(13)17/h4-6,8-9,15,18H,3,7H2,1-2H3
InChIKeyQSNIEHDCIBJSFX-UHFFFAOYSA-N
MW387.12 g/mol
LogP5.20
Rot. Bonds5

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

N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 43495287) has the molecular formula C15H17Br2NO and a molecular weight of 387.12 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID43495287
Molecular FormulaC15H17Br2NO
Molecular Weight387.12 g/mol
Exact Mass384.97
IUPAC NameN-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1Br)c1ccoc1C
InChIInChI=1S/C15H17Br2NO/c1-3-7-18-15(12-6-8-19-10(12)2)13-9-11(16)4-5-14(13)17/h4-6,8-9,15,18H,3,7H2,1-2H3
InChIKeyQSNIEHDCIBJSFX-UHFFFAOYSA-N
XLogP5.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.12
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 106851675
N-[(5-bromo-2-fluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790330
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 43495349
N-[(2,5-dibromophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 63502138
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 115484143
N-[(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104657714
N-[(2,5-dibromophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857989
N-[(2,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 114369209
N-[(2-chloro-4,5-difluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 107476682
N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625510
N-[(4-bromo-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 63503524
N-[(2-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 81454710

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine (CID 43495287) is N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1cc(Br)ccc1Br)c1ccoc1C.
What is the InChIKey of N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is QSNIEHDCIBJSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO/c1-3-7-18-15(12-6-8-19-10(12)2)13-9-11(16)4-5-14(13)17/h4-6,8-9,15,18H,3,7H2,1-2H3.
What are the key properties of N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 387.12 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 43495287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).