5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine

C16H25NO — CID 43512484

IUPAC5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCC2N
InChIInChI=1S/C16H25NO/c1-15(2,3)10-7-11-13(17)9-18-14(11)12(8-10)16(4,5)6/h7-8,13H,9,17H2,1-6H3
InChIKeyCWFZZUNKAHBDRM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.67
Rot. Bonds

About 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine

5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512484) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512484
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCC2N
InChIInChI=1S/C16H25NO/c1-15(2,3)10-7-11-13(17)9-18-14(11)12(8-10)16(4,5)6/h7-8,13H,9,17H2,1-6H3
InChIKeyCWFZZUNKAHBDRM-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6,8-ditert-butyl-3,4-dihydro-2H-chromen-4-ol
CID 79014331
9-tert-butyl-7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43155021
6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine
CID 55296444
(4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine
CID 131380800
7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512086
5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512181
5-chloro-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-3-amine
CID 164740595
5,7-ditert-butyl-3-(4-tert-butylphenyl)-3H-1-benzofuran-2-one
CID 22948148
methyl 5-bromo-7-tert-butyl-2,3-dihydro-1-benzofuran-3-carboxylate
CID 59268315
3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
CID 86192290
N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512291
(3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131075554

Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine (CID 43512484) is 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCC2N.
What is the InChIKey of 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is CWFZZUNKAHBDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)10-7-11-13(17)9-18-14(11)12(8-10)16(4,5)6/h7-8,13H,9,17H2,1-6H3.
What are the key properties of 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine?
5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).