7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine

C13H19NO — CID 43512086

IUPAC7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1ccc(C(C)(C)C)c2c1C(N)CO2
InChIInChI=1S/C13H19NO/c1-8-5-6-9(13(2,3)4)12-11(8)10(14)7-15-12/h5-6,10H,7,14H2,1-4H3
InChIKeyRHMVQWHVZBAAPV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.68
Rot. Bonds

About 7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine

7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512086) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512086
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1ccc(C(C)(C)C)c2c1C(N)CO2
InChIInChI=1S/C13H19NO/c1-8-5-6-9(13(2,3)4)12-11(8)10(14)7-15-12/h5-6,10H,7,14H2,1-4H3
InChIKeyRHMVQWHVZBAAPV-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512082
7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130054307
5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512484
8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one
CID 43154972
4-methyl-2,3-dihydrofuro[2,3-b]pyridin-3-amine
CID 86721935
(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961066
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
(5S)-9-fluoro-6-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014270
7-tert-butyl-2,4-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63398815
2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine
CID 117283610
(3R)-4-ethyl-2,3-dihydro-1-benzofuran-3,7-diamine
CID 130643053
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 130992672

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 43512086) is 7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine is Cc1ccc(C(C)(C)C)c2c1C(N)CO2.
What is the InChIKey of 7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is RHMVQWHVZBAAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-5-6-9(13(2,3)4)12-11(8)10(14)7-15-12/h5-6,10H,7,14H2,1-4H3.
What are the key properties of 7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).