1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine

C17H25NO — CID 79230011

IUPAC1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
SMILESCCNC(CCCC1COc2ccccc21)C1CC1
InChIInChI=1S/C17H25NO/c1-2-18-16(13-10-11-13)8-5-6-14-12-19-17-9-4-3-7-15(14)17/h3-4,7,9,13-14,16,18H,2,5-6,8,10-12H2,1H3
InChIKeyGZIIJONWVYXSMJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.72
Rot. Bonds7

About 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine

1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine (PubChem CID 79230011) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
PubChem CID79230011
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
SMILESCCNC(CCCC1COc2ccccc21)C1CC1
InChIInChI=1S/C17H25NO/c1-2-18-16(13-10-11-13)8-5-6-14-12-19-17-9-4-3-7-15(14)17/h3-4,7,9,13-14,16,18H,2,5-6,8,10-12H2,1H3
InChIKeyGZIIJONWVYXSMJ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54841
Atomoxetine Hydrochloride
CID 54840
Tasimelteon
CID 10220503
Bifemelane
CID 2377
Methoxyphenamine
CID 4117
Methoxyphenamine Hydrochloride
CID 9859211
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 6850813
6-(2-Aminopropyl)-2,3-dihydrobenzofuran
CID 192599
5-Apdb
CID 192601
1-Butanamine, N-methyl-4-(2-(phenylmethyl)phenoxy)-, hydrochloride (1:1)
CID 6917789
Procinolol
CID 71707
N-(1-Methylethyl)-3-[(3-Prop-2-En-1-Ylbiphenyl-4-Yl)oxy]propan-1-Amine
CID 10591006

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine?
The IUPAC name of 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine (CID 79230011) is 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine is CCNC(CCCC1COc2ccccc21)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine?
The InChIKey is GZIIJONWVYXSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-18-16(13-10-11-13)8-5-6-14-12-19-17-9-4-3-7-15(14)17/h3-4,7,9,13-14,16,18H,2,5-6,8,10-12H2,1H3.
What are the key properties of 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine?
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 79230011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).