N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine

C15H17Br2NO — CID 105029882

IUPACN-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H17Br2NO/c1-2-6-18-15(8-11-5-7-19-10-11)13-9-12(16)3-4-14(13)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyYWGAQLRVCAFFJK-UHFFFAOYSA-N
MW387.12 g/mol
LogP5.09
Rot. Bonds6

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

N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 105029882) has the molecular formula C15H17Br2NO and a molecular weight of 387.12 g/mol. Its IUPAC name is N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
PubChem CID105029882
Molecular FormulaC15H17Br2NO
Molecular Weight387.12 g/mol
Exact Mass384.97
IUPAC NameN-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H17Br2NO/c1-2-6-18-15(8-11-5-7-19-10-11)13-9-12(16)3-4-14(13)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyYWGAQLRVCAFFJK-UHFFFAOYSA-N
XLogP5.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.12
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-3-chlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030232
N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175760
N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176142
N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030186
N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030066
N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63528081
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029948
1-(2,5-dibromophenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105003992
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819
N-[1-(3-chloro-2-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176143
N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine (CID 105029882) is N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1cc(Br)ccc1Br.
What is the InChIKey of N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is YWGAQLRVCAFFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO/c1-2-6-18-15(8-11-5-7-19-10-11)13-9-12(16)3-4-14(13)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3.
What are the key properties of N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 387.12 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105029882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).