N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine

C12H13BrClNO2 — CID 106692103

IUPACN-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1occc1Br
InChIInChI=1S/C12H13BrClNO2/c1-2-6-15-11(9-3-4-10(14)17-9)12-8(13)5-7-16-12/h3-5,7,11,15H,2,6H2,1H3
InChIKeyMTJRHKXQYZCERT-UHFFFAOYSA-N
MW318.60 g/mol
LogP4.38
Rot. Bonds5

About N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine

N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine (PubChem CID 106692103) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
PubChem CID106692103
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC NameN-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1occc1Br
InChIInChI=1S/C12H13BrClNO2/c1-2-6-15-11(9-3-4-10(14)17-9)12-8(13)5-7-16-12/h3-5,7,11,15H,2,6H2,1H3
InChIKeyMTJRHKXQYZCERT-UHFFFAOYSA-N
XLogP4.38
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 115861459
N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 115861666
N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861234
N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444901
N-[(3-bromofuran-2-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115861594
N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770
N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105150670
N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
CID 63942460
N-[(3-bromofuran-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 63941663
1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
CID 116660927
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63943030
N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357164

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine (CID 106692103) is N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)o1)c1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine?
The InChIKey is MTJRHKXQYZCERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c1-2-6-15-11(9-3-4-10(14)17-9)12-8(13)5-7-16-12/h3-5,7,11,15H,2,6H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine?
N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine has a molecular weight of 318.60 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106692103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).