N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine

C16H23NO2 — CID 104587767

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccc3c(c2)CC(C)(C)O3)C1
InChIInChI=1S/C16H23NO2/c1-16(2)9-12-6-11(4-5-15(12)19-16)10-17-13-7-14(8-13)18-3/h4-6,13-14,17H,7-10H2,1-3H3
InChIKeyGLDIHOIGHJWMCT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.67
Rot. Bonds4

About N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine (PubChem CID 104587767) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine
PubChem CID104587767
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccc3c(c2)CC(C)(C)O3)C1
InChIInChI=1S/C16H23NO2/c1-16(2)9-12-6-11(4-5-15(12)19-16)10-17-13-7-14(8-13)18-3/h4-6,13-14,17H,7-10H2,1-3H3
InChIKeyGLDIHOIGHJWMCT-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine (CID 104587767) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine is COC1CC(NCc2ccc3c(c2)CC(C)(C)O3)C1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine?
The InChIKey is GLDIHOIGHJWMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)9-12-6-11(4-5-15(12)19-16)10-17-13-7-14(8-13)18-3/h4-6,13-14,17H,7-10H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.67, 4 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-5-yl)methyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104587767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).