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

C14H18BrNO2 — CID 115861459

IUPACN-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)o1)c1occc1Br
InChIInChI=1S/C14H18BrNO2/c1-3-8-16-13(14-11(15)7-9-17-14)12-6-5-10(4-2)18-12/h5-7,9,13,16H,3-4,8H2,1-2H3
InChIKeyWDLXXKWEVRYHGE-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.29
Rot. Bonds6

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

N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine (PubChem CID 115861459) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
PubChem CID115861459
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)o1)c1occc1Br
InChIInChI=1S/C14H18BrNO2/c1-3-8-16-13(14-11(15)7-9-17-14)12-6-5-10(4-2)18-12/h5-7,9,13,16H,3-4,8H2,1-2H3
InChIKeyWDLXXKWEVRYHGE-UHFFFAOYSA-N
XLogP4.29
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106692103
N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 115861666
N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770
N-[(3-bromofuran-2-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115861594
N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105150670
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 102828702
N-[(5-ethylfuran-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 55061752
N-[(3-bromofuran-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 63941663
N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
CID 63942460
N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861234
N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357164
N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444901

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine (CID 115861459) is N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(CC)o1)c1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is WDLXXKWEVRYHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-3-8-16-13(14-11(15)7-9-17-14)12-6-5-10(4-2)18-12/h5-7,9,13,16H,3-4,8H2,1-2H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 312.21 g/mol, XLogP of 4.29, 6 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-ethylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115861459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).