N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine

C14H21NO — CID 90805957

IUPACN-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCCN(CC)C1COc2ccccc21
InChIInChI=1S/C14H21NO/c1-3-5-10-15(4-2)13-11-16-14-9-7-6-8-12(13)14/h6-9,13H,3-5,10-11H2,1-2H3
InChIKeyDEKNYFREBYWDEZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.24
Rot. Bonds5

About N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine

N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 90805957) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID90805957
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCCN(CC)C1COc2ccccc21
InChIInChI=1S/C14H21NO/c1-3-5-10-15(4-2)13-11-16-14-9-7-6-8-12(13)14/h6-9,13H,3-5,10-11H2,1-2H3
InChIKeyDEKNYFREBYWDEZ-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine
CID 91335559
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771
(3S,4S)-3,4-dipentyl-3,4-dihydro-2H-chromene
CID 69084900
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 10538469
2-N,6-N-didecyl-2-N,6-N-diethyl-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-2,6-diamine
CID 139953221
(4aR,10bR)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 14151592
butyl 2,3-dihydro-1-benzofuran-3-carboxylate
CID 78960804
2-N,4-N-didecyl-2-N,4-N-diethyl-1,3,5-benzotrioxepine-2,4-diamine
CID 139952563
(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 18603878
3-(butylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446124
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine
CID 102998678

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine (CID 90805957) is N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine is CCCCN(CC)C1COc2ccccc21.
What is the InChIKey of N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is DEKNYFREBYWDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-5-10-15(4-2)13-11-16-14-9-7-6-8-12(13)14/h6-9,13H,3-5,10-11H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 219.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 90805957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).