1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine

C16H19NO2 — CID 107293623

IUPAC1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)C(C)(C)CO2)c1ccco1
InChIInChI=1S/C16H19NO2/c1-16(2)10-19-13-7-6-11(9-12(13)16)15(17-3)14-5-4-8-18-14/h4-9,15,17H,10H2,1-3H3
InChIKeySOMXCCASEQRJNS-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.26
Rot. Bonds3

About 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 107293623) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine
PubChem CID107293623
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)C(C)(C)CO2)c1ccco1
InChIInChI=1S/C16H19NO2/c1-16(2)10-19-13-7-6-11(9-12(13)16)15(17-3)14-5-4-8-18-14/h4-9,15,17H,10H2,1-3H3
InChIKeySOMXCCASEQRJNS-UHFFFAOYSA-N
XLogP3.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 107293669
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 107293637
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 107293642
N-[(2-bromofuran-3-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CID 107293705
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine
CID 107293609
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294445
(1R)-1-(furan-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 90212494
7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43483117
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
5-[chloro-(3-chlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294378
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 107293682
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107293658

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine (CID 107293623) is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)C(C)(C)CO2)c1ccco1.
What is the InChIKey of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is SOMXCCASEQRJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2)10-19-13-7-6-11(9-12(13)16)15(17-3)14-5-4-8-18-14/h4-9,15,17H,10H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 257.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 107293623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).