(2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine

C11H15NO — CID 83906205

IUPAC(2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine
SMILESCc1ccc2c(c1)C(CN)C(C)O2
InChIInChI=1S/C11H15NO/c1-7-3-4-11-9(5-7)10(6-12)8(2)13-11/h3-5,8,10H,6,12H2,1-2H3
InChIKeyQNAVNJSDKBOFDN-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.82
Rot. Bonds1

About (2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine

(2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine (PubChem CID 83906205) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine
PubChem CID83906205
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine
SMILESCc1ccc2c(c1)C(CN)C(C)O2
InChIInChI=1S/C11H15NO/c1-7-3-4-11-9(5-7)10(6-12)8(2)13-11/h3-5,8,10H,6,12H2,1-2H3
InChIKeyQNAVNJSDKBOFDN-UHFFFAOYSA-N
XLogP1.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3S)-2,5-dimethyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine
CID 165402690
2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013063
(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene
CID 126699254
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
(2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol
CID 124573509
2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709766
1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83907388
[(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride
CID 165402682
(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran
CID 146532547
(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946698
2,3-dimethyl-2,3-dihydro-1-benzofuran-5-amine
CID 75481348
(4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946373

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine?
The IUPAC name of (2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine (CID 83906205) is (2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine is Cc1ccc2c(c1)C(CN)C(C)O2.
What is the InChIKey of (2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine?
The InChIKey is QNAVNJSDKBOFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-3-4-11-9(5-7)10(6-12)8(2)13-11/h3-5,8,10H,6,12H2,1-2H3.
What are the key properties of (2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine?
(2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-2,3-dihydro-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 83906205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).