(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine

C12H17NO — CID 42129700

IUPAC(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
SMILESCC[C@@H](N)c1ccc2c(c1)C[C@H](C)O2
InChIInChI=1S/C12H17NO/c1-3-11(13)9-4-5-12-10(7-9)6-8(2)14-12/h4-5,7-8,11H,3,6,13H2,1-2H3/t8-,11+/m0/s1
InChIKeyZZHKIYFEXZSVMA-GZMMTYOYSA-N
MW191.27 g/mol
LogP2.42
Rot. Bonds2

About (1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine

(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine (PubChem CID 42129700) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
PubChem CID42129700
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
SMILESCC[C@@H](N)c1ccc2c(c1)C[C@H](C)O2
InChIInChI=1S/C12H17NO/c1-3-11(13)9-4-5-12-10(7-9)6-8(2)14-12/h4-5,7-8,11H,3,6,13H2,1-2H3/t8-,11+/m0/s1
InChIKeyZZHKIYFEXZSVMA-GZMMTYOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide
CID 61328585
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
CID 43297172
N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 43493507
5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 43297160
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
CID 43498124
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylbutan-1-ol
CID 61081250
(3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43297193
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine?
The IUPAC name of (1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine (CID 42129700) is (1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine is CC[C@@H](N)c1ccc2c(c1)C[C@H](C)O2.
What is the InChIKey of (1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine?
The InChIKey is ZZHKIYFEXZSVMA-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-11(13)9-4-5-12-10(7-9)6-8(2)14-12/h4-5,7-8,11H,3,6,13H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of (1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine?
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine is sourced from PubChem (CID 42129700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).