(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine

C13H21NO — CID 112716095

IUPAC(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine
SMILESCCc1cc2c(o1)CCC(C)(C)C2CN
InChIInChI=1S/C13H21NO/c1-4-9-7-10-11(8-14)13(2,3)6-5-12(10)15-9/h7,11H,4-6,8,14H2,1-3H3
InChIKeyATPGIHHUNLFMRR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.86
Rot. Bonds2

About (2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine

(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine (PubChem CID 112716095) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine
PubChem CID112716095
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine
SMILESCCc1cc2c(o1)CCC(C)(C)C2CN
InChIInChI=1S/C13H21NO/c1-4-9-7-10-11(8-14)13(2,3)6-5-12(10)15-9/h7,11H,4-6,8,14H2,1-3H3
InChIKeyATPGIHHUNLFMRR-UHFFFAOYSA-N
XLogP2.86
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
CID 112715141
2-ethyl-5-methyl-5,6-dihydro-4H-cyclopenta[b]furan-4-amine
CID 112714309
4-(aminomethyl)-2-ethyl-6,7-dihydro-5H-1-benzofuran-4-ol
CID 83907829
4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran
CID 102384281
2-(5-ethylfuran-2-yl)ethanamine
CID 62346486
spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine
CID 112714534
2-ethyl-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-carboxylic acid
CID 83909523
5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
CID 112714362
2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine
CID 83907612
2-ethyl-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one;propane
CID 170574637
2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)propan-1-amine
CID 112716078
2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
CID 83909092

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine?
The IUPAC name of (2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine (CID 112716095) is (2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine.
What is the SMILES notation for (2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine?
The canonical SMILES for (2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine is CCc1cc2c(o1)CCC(C)(C)C2CN.
What is the InChIKey of (2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine?
The InChIKey is ATPGIHHUNLFMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-9-7-10-11(8-14)13(2,3)6-5-12(10)15-9/h7,11H,4-6,8,14H2,1-3H3.
What are the key properties of (2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine?
(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine is sourced from PubChem (CID 112716095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).