1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine

C12H14BrNO2 — CID 105150536

IUPAC1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccco1)c1occc1Br
InChIInChI=1S/C12H14BrNO2/c1-14-11(12-10(13)6-8-16-12)5-4-9-3-2-7-15-9/h2-3,6-8,11,14H,4-5H2,1H3
InChIKeyZUSRLGCSFSRVFR-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.53
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine

1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine (PubChem CID 105150536) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
PubChem CID105150536
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccco1)c1occc1Br
InChIInChI=1S/C12H14BrNO2/c1-14-11(12-10(13)6-8-16-12)5-4-9-3-2-7-15-9/h2-3,6-8,11,14H,4-5H2,1H3
InChIKeyZUSRLGCSFSRVFR-UHFFFAOYSA-N
XLogP3.53
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 63943232
1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346309
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302
3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141555
1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105108978
1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115861332
3-(furan-2-yl)-1-(3-methoxy-2-pyridinyl)-N-methylpropan-1-amine
CID 114054705
3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine
CID 105147383
1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 112742517
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 105139496
3-(furan-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107332164
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
CID 115861224

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine (CID 105150536) is 1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine is CNC(CCc1ccco1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The InChIKey is ZUSRLGCSFSRVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-14-11(12-10(13)6-8-16-12)5-4-9-3-2-7-15-9/h2-3,6-8,11,14H,4-5H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine has a molecular weight of 284.15 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 105150536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).