N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine

C16H23NO2 — CID 114376622

IUPACN-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2ccc(C(C)C)cc2c1COC
InChIInChI=1S/C16H23NO2/c1-5-17-9-16-14(10-18-4)13-8-12(11(2)3)6-7-15(13)19-16/h6-8,11,17H,5,9-10H2,1-4H3
InChIKeyZJCMOCJXFOWTRW-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.81
Rot. Bonds6

About N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine

N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 114376622) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID114376622
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2ccc(C(C)C)cc2c1COC
InChIInChI=1S/C16H23NO2/c1-5-17-9-16-14(10-18-4)13-8-12(11(2)3)6-7-15(13)19-16/h6-8,11,17H,5,9-10H2,1-4H3
InChIKeyZJCMOCJXFOWTRW-UHFFFAOYSA-N
XLogP3.81
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073016
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine
CID 114377191
N-[[5-bromo-7-chloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376053
N-[[5-bromo-6-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114377589
N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376801
N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376491
N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107669906
N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine
CID 107727434
N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375292
N-[[7-tert-butyl-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]ethanamine
CID 114375517
N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 114378133

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine (CID 114376622) is N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine is CCNCc1oc2ccc(C(C)C)cc2c1COC.
What is the InChIKey of N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is ZJCMOCJXFOWTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-17-9-16-14(10-18-4)13-8-12(11(2)3)6-7-15(13)19-16/h6-8,11,17H,5,9-10H2,1-4H3.
What are the key properties of N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine?
N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 261.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 114376622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).