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

C16H25NO — CID 66365713

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCC1Cc2ccccc2O1
InChIInChI=1S/C16H25NO/c1-4-16(5-2,6-3)17-12-14-11-13-9-7-8-10-15(13)18-14/h7-10,14,17H,4-6,11-12H2,1-3H3
InChIKeyGIFGNOXMCFIPQP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds6

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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine (PubChem CID 66365713) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
PubChem CID66365713
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCC1Cc2ccccc2O1
InChIInChI=1S/C16H25NO/c1-4-16(5-2,6-3)17-12-14-11-13-9-7-8-10-15(13)18-14/h7-10,14,17H,4-6,11-12H2,1-3H3
InChIKeyGIFGNOXMCFIPQP-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66361361
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-3-ethylpentan-3-amine
CID 65041406
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
1-chloro-2-(chloromethyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 107867024
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
1-chloro-2-(chloromethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 107867075
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine (CID 66365713) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine is CCC(CC)(CC)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine?
The InChIKey is GIFGNOXMCFIPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16(5-2,6-3)17-12-14-11-13-9-7-8-10-15(13)18-14/h7-10,14,17H,4-6,11-12H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine is sourced from PubChem (CID 66365713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).