N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine

C16H23NO2 — CID 103271023

IUPACN-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCc1cc2ccccc2o1)C(C)C
InChIInChI=1S/C16H23NO2/c1-4-18-11-15(12(2)3)17-10-14-9-13-7-5-6-8-16(13)19-14/h5-9,12,15,17H,4,10-11H2,1-3H3
InChIKeyCIHOUOSXRYXVMF-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.58
Rot. Bonds7

About N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine

N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine (PubChem CID 103271023) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
PubChem CID103271023
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCc1cc2ccccc2o1)C(C)C
InChIInChI=1S/C16H23NO2/c1-4-18-11-15(12(2)3)17-10-14-9-13-7-5-6-8-16(13)19-14/h5-9,12,15,17H,4,10-11H2,1-3H3
InChIKeyCIHOUOSXRYXVMF-UHFFFAOYSA-N
XLogP3.58
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 103271155
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine
CID 107329660
N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271001
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 28653087
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403388
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 78966709
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine (CID 103271023) is N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine is CCOCC(NCc1cc2ccccc2o1)C(C)C.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine?
The InChIKey is CIHOUOSXRYXVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-18-11-15(12(2)3)17-10-14-9-13-7-5-6-8-16(13)19-14/h5-9,12,15,17H,4,10-11H2,1-3H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine?
N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine has a molecular weight of 261.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 103271023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).