N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine

C17H25NO2 — CID 103897511

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine
SMILESCC1(NCc2cccc3c2OC(C)(C)C3)CCCOC1
InChIInChI=1S/C17H25NO2/c1-16(2)10-13-6-4-7-14(15(13)20-16)11-18-17(3)8-5-9-19-12-17/h4,6-7,18H,5,8-12H2,1-3H3
InChIKeyYJJYQHZEUKOFSX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.06
Rot. Bonds3

About N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine (PubChem CID 103897511) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine
PubChem CID103897511
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine
SMILESCC1(NCc2cccc3c2OC(C)(C)C3)CCCOC1
InChIInChI=1S/C17H25NO2/c1-16(2)10-13-6-4-7-14(15(13)20-16)11-18-17(3)8-5-9-19-12-17/h4,6-7,18H,5,8-12H2,1-3H3
InChIKeyYJJYQHZEUKOFSX-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methyloxan-3-amine
CID 103897407
N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine
CID 103897522
N-[(2-amino-3-fluorophenyl)methyl]-3-methyloxan-3-amine
CID 114113972
N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide
CID 103897392
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol
CID 64688757
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
2-[1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750045
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
CID 64509256
N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768729
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
CID 64508357

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine (CID 103897511) is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine is CC1(NCc2cccc3c2OC(C)(C)C3)CCCOC1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine?
The InChIKey is YJJYQHZEUKOFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2)10-13-6-4-7-14(15(13)20-16)11-18-17(3)8-5-9-19-12-17/h4,6-7,18H,5,8-12H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine has a molecular weight of 275.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine is sourced from PubChem (CID 103897511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).