(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine

C16H21NO3 — CID 114731435

IUPAC(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCOC1(C(N)c2cc3cc(C)ccc3o2)CCOCC1
InChIInChI=1S/C16H21NO3/c1-11-3-4-13-12(9-11)10-14(20-13)15(17)16(18-2)5-7-19-8-6-16/h3-4,9-10,15H,5-8,17H2,1-2H3
InChIKeyRSROABKTZOVPJA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.94
Rot. Bonds3

About (4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine

(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 114731435) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID114731435
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCOC1(C(N)c2cc3cc(C)ccc3o2)CCOCC1
InChIInChI=1S/C16H21NO3/c1-11-3-4-13-12(9-11)10-14(20-13)15(17)16(18-2)5-7-19-8-6-16/h3-4,9-10,15H,5-8,17H2,1-2H3
InChIKeyRSROABKTZOVPJA-UHFFFAOYSA-N
XLogP2.94
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731419
(4-methoxyoxan-4-yl)-(5-methylthiophen-2-yl)methanamine
CID 116764560
(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine
CID 116764533
1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 114731441
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide
CID 103954201
(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol
CID 114727016
(5-methyl-1-benzofuran-2-yl)-(oxan-4-yl)methanol
CID 114723696
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114726107

Frequently Asked Questions

What is the IUPAC name of (4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine (CID 114731435) is (4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine is COC1(C(N)c2cc3cc(C)ccc3o2)CCOCC1.
What is the InChIKey of (4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is RSROABKTZOVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-3-4-13-12(9-11)10-14(20-13)15(17)16(18-2)5-7-19-8-6-16/h3-4,9-10,15H,5-8,17H2,1-2H3.
What are the key properties of (4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 275.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114731435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).