1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine

C13H17NO2 — CID 81035438

IUPAC1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2c(OC)cc(C)cc2c1C
InChIInChI=1S/C13H17NO2/c1-8-5-10-9(2)12(7-14-3)16-13(10)11(6-8)15-4/h5-6,14H,7H2,1-4H3
InChIKeyTYFYMRYDVLTLSW-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.78
Rot. Bonds3

About 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine

1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 81035438) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID81035438
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2c(OC)cc(C)cc2c1C
InChIInChI=1S/C13H17NO2/c1-8-5-10-9(2)12(7-14-3)16-13(10)11(6-8)15-4/h5-6,14H,7H2,1-4H3
InChIKeyTYFYMRYDVLTLSW-UHFFFAOYSA-N
XLogP2.78
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375018
7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine
CID 82372675
N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375003
1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride
CID 54595179
(5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 107669955
N-[(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81047415
N-[(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81050139
1-(2-chloro-6-methoxy-4-methylphenyl)-N-methylmethanamine
CID 84775565
1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
N-[(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81050088
1-[5-(2-methoxyethyl)-3-methyl-1-benzofuran-2-yl]-N-methylmethanamine
CID 81049591
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 81035438) is 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine is CNCc1oc2c(OC)cc(C)cc2c1C.
What is the InChIKey of 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is TYFYMRYDVLTLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-5-10-9(2)12(7-14-3)16-13(10)11(6-8)15-4/h5-6,14H,7H2,1-4H3.
What are the key properties of 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 219.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81035438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).