N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine

C16H23NO2 — CID 102978076

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO2/c1-12(17-10-9-16(2,3)18-4)15-11-13-7-5-6-8-14(13)19-15/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyXVSAJXOTFHQONG-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.90
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine

N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine (PubChem CID 102978076) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
PubChem CID102978076
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO2/c1-12(17-10-9-16(2,3)18-4)15-11-13-7-5-6-8-14(13)19-15/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyXVSAJXOTFHQONG-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906093
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43203173
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207338
1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396498
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine (CID 102978076) is N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CCNC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine?
The InChIKey is XVSAJXOTFHQONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(17-10-9-16(2,3)18-4)15-11-13-7-5-6-8-14(13)19-15/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine has a molecular weight of 261.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 102978076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).