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

C15H17Br2NO — CID 107979814

IUPACN-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)cc(Br)c1)c1ccc(C)o1
InChIInChI=1S/C15H17Br2NO/c1-3-6-18-15(14-5-4-10(2)19-14)11-7-12(16)9-13(17)8-11/h4-5,7-9,15,18H,3,6H2,1-2H3
InChIKeyCWUCXWQCEQVKOH-UHFFFAOYSA-N
MW387.12 g/mol
LogP5.20
Rot. Bonds5

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

N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 107979814) has the molecular formula C15H17Br2NO and a molecular weight of 387.12 g/mol. Its IUPAC name is N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID107979814
Molecular FormulaC15H17Br2NO
Molecular Weight387.12 g/mol
Exact Mass384.97
IUPAC NameN-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)cc(Br)c1)c1ccc(C)o1
InChIInChI=1S/C15H17Br2NO/c1-3-6-18-15(14-5-4-10(2)19-14)11-7-12(16)9-13(17)8-11/h4-5,7-9,15,18H,3,6H2,1-2H3
InChIKeyCWUCXWQCEQVKOH-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-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 65296874
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107979789
N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 79692841
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 105054251
N-[(5-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302974
N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 104851281
N-[(5-methylfuran-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115807959
N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 81323088
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 43498090
N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 43495625
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine (CID 107979814) is N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1cc(Br)cc(Br)c1)c1ccc(C)o1.
What is the InChIKey of N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is CWUCXWQCEQVKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO/c1-3-6-18-15(14-5-4-10(2)19-14)11-7-12(16)9-13(17)8-11/h4-5,7-9,15,18H,3,6H2,1-2H3.
What are the key properties of N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
N-[(3,5-dibromophenyl)-(5-methylfuran-2-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-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107979814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).