(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine

C12H14FNO — CID 165455144

IUPAC(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
SMILESCCC[C@@H](N)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H14FNO/c1-2-4-10(14)11-7-8-5-3-6-9(13)12(8)15-11/h3,5-7,10H,2,4,14H2,1H3/t10-/m1/s1
InChIKeyWKMRKVCEOAOLOK-SNVBAGLBSA-N
MW207.25 g/mol
LogP3.37
Rot. Bonds3

About (1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine

(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine (PubChem CID 165455144) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
PubChem CID165455144
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
SMILESCCC[C@@H](N)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H14FNO/c1-2-4-10(14)11-7-8-5-3-6-9(13)12(8)15-11/h3,5-7,10H,2,4,14H2,1H3/t10-/m1/s1
InChIKeyWKMRKVCEOAOLOK-SNVBAGLBSA-N
XLogP3.37
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
(1R)-1-(7-methoxy-1-benzofuran-2-yl)butan-1-amine
CID 165461151
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728785
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
1-(7-fluoro-1-benzofuran-2-yl)-3-pyridin-2-ylpropan-1-amine
CID 105186531
2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728807
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
CID 114731148
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105186440
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 103544181

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of (1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine (CID 165455144) is (1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for (1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for (1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine is CCC[C@@H](N)c1cc2cccc(F)c2o1.
What is the InChIKey of (1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is WKMRKVCEOAOLOK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14FNO/c1-2-4-10(14)11-7-8-5-3-6-9(13)12(8)15-11/h3,5-7,10H,2,4,14H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine?
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 207.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 165455144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).