N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine

C14H21NO2 — CID 66347030

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H21NO2/c1-3-16-10-11(2)15-9-13-8-12-6-4-5-7-14(12)17-13/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyYQOZSXFUZNFDPX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine (PubChem CID 66347030) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine
PubChem CID66347030
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H21NO2/c1-3-16-10-11(2)15-9-13-8-12-6-4-5-7-14(12)17-13/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyYQOZSXFUZNFDPX-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 66349179
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
CID 115676291
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 61003470
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol
CID 106159943
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 61004141

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine (CID 66347030) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine is CCOCC(C)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine?
The InChIKey is YQOZSXFUZNFDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-16-10-11(2)15-9-13-8-12-6-4-5-7-14(12)17-13/h4-7,11,13,15H,3,8-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine is sourced from PubChem (CID 66347030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).