(5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane

C32H53NO2 — CID 156724956

IUPAC(5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
SMILESCC.CC.CC.CC.Cc1cc(C)c2occc2c1C(C)C.Cc1cc(C)c2occc2c1CN
InChIInChI=1S/C13H16O.C11H13NO.4C2H6/c1-8(2)12-9(3)7-10(4)13-11(12)5-6-14-13;1-7-5-8(2)11-9(3-4-13-11)10(7)6-12;4*1-2/h5-8H,1-4H3;3-5H,6,12H2,1-2H3;4*1-2H3
InChIKeyQUBOPOJBMZDZDP-UHFFFAOYSA-N
MW483.78 g/mol
LogP10.79
Rot. Bonds2

About (5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane

(5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane (PubChem CID 156724956) has the molecular formula C32H53NO2 and a molecular weight of 483.78 g/mol. Its IUPAC name is (5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane.

Molecular Properties

Compound Name(5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
PubChem CID156724956
Molecular FormulaC32H53NO2
Molecular Weight483.78 g/mol
Exact Mass483.41
IUPAC Name(5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
SMILESCC.CC.CC.CC.Cc1cc(C)c2occc2c1C(C)C.Cc1cc(C)c2occc2c1CN
InChIInChI=1S/C13H16O.C11H13NO.4C2H6/c1-8(2)12-9(3)7-10(4)13-11(12)5-6-14-13;1-7-5-8(2)11-9(3-4-13-11)10(7)6-12;4*1-2/h5-8H,1-4H3;3-5H,6,12H2,1-2H3;4*1-2H3
InChIKeyQUBOPOJBMZDZDP-UHFFFAOYSA-N
XLogP10.79
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.78
LogP ≤ 510.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
CID 156725009
4-(aminomethyl)-5-methyl-1-benzofuran-7-amine
CID 166848897
2-(8-methylfuro[2,3-f][1]benzofuran-4-yl)propan-1-amine
CID 117330543
2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
CID 117301032
ethane;7-methyl-4-propan-2-yl-1-benzofuran
CID 145358952
3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine
CID 117322960
4,7-dimethyl-1-benzofuran-5-amine
CID 45122665
4,5,7-trimethyl-6-propan-2-yl-1-benzofuran
CID 71217546
8-(1-aminopropan-2-yl)furo[2,3-f][1]benzofuran-4-ol
CID 117333899
4-cyclopropyl-5,7-dimethyl-1-benzofuran
CID 156724618
4-methylfuro[3,2-e][1]benzofuran
CID 170151915
(4-chlorofuro[2,3-f][1]benzofuran-8-yl)methanamine
CID 115010192

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane?
The IUPAC name of (5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane (CID 156724956) is (5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane.
What is the SMILES notation for (5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane?
The canonical SMILES for (5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane is CC.CC.CC.CC.Cc1cc(C)c2occc2c1C(C)C.Cc1cc(C)c2occc2c1CN.
What is the InChIKey of (5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane?
The InChIKey is QUBOPOJBMZDZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.C11H13NO.4C2H6/c1-8(2)12-9(3)7-10(4)13-11(12)5-6-14-13;1-7-5-8(2)11-9(3-4-13-11)10(7)6-12;4*1-2/h5-8H,1-4H3;3-5H,6,12H2,1-2H3;4*1-2H3.
What are the key properties of (5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane?
(5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane has a molecular weight of 483.78 g/mol, XLogP of 10.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane is sourced from PubChem (CID 156724956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).