2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine

C13H21NO — CID 83909092

IUPAC2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
SMILESCC(C)c1cc2c(o1)CCCC2CCN
InChIInChI=1S/C13H21NO/c1-9(2)13-8-11-10(6-7-14)4-3-5-12(11)15-13/h8-10H,3-7,14H2,1-2H3
InChIKeyQYWGYNYHXPFOLK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.17
Rot. Bonds3

About 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine

2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine (PubChem CID 83909092) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
PubChem CID83909092
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
SMILESCC(C)c1cc2c(o1)CCCC2CCN
InChIInChI=1S/C13H21NO/c1-9(2)13-8-11-10(6-7-14)4-3-5-12(11)15-13/h8-10H,3-7,14H2,1-2H3
InChIKeyQYWGYNYHXPFOLK-UHFFFAOYSA-N
XLogP3.17
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5,6-dihydro-4H-cyclopenta[b]furan-4-yl)ethanamine
CID 83906976
2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine
CID 83884013
2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol
CID 155577749
2-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
CID 83907610
2-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 82076845
2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine
CID 83875498
2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 15816636
2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine
CID 83907612
2-[(1R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 67627169
1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
CID 112715141
2-[7-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 82542874
2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine
CID 83434532

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine?
The IUPAC name of 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine (CID 83909092) is 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine.
What is the SMILES notation for 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine?
The canonical SMILES for 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine is CC(C)c1cc2c(o1)CCCC2CCN.
What is the InChIKey of 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine?
The InChIKey is QYWGYNYHXPFOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)13-8-11-10(6-7-14)4-3-5-12(11)15-13/h8-10H,3-7,14H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine?
2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine is sourced from PubChem (CID 83909092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).