1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine

C17H26N2O2 — CID 62983956

IUPAC1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)CCCOC)c1cc2ccccc2o1
InChIInChI=1S/C17H26N2O2/c1-4-18-15(13-19(2)10-7-11-20-3)17-12-14-8-5-6-9-16(14)21-17/h5-6,8-9,12,15,18H,4,7,10-11,13H2,1-3H3
InChIKeyFNZDMGQXGBNGMR-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.05
Rot. Bonds9

About 1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine

1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (PubChem CID 62983956) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
PubChem CID62983956
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)CCCOC)c1cc2ccccc2o1
InChIInChI=1S/C17H26N2O2/c1-4-18-15(13-19(2)10-7-11-20-3)17-12-14-8-5-6-9-16(14)21-17/h5-6,8-9,12,15,18H,4,7,10-11,13H2,1-3H3
InChIKeyFNZDMGQXGBNGMR-UHFFFAOYSA-N
XLogP3.05
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62985012
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983603
1-(1-benzofuran-2-yl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695788
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine
CID 107505693

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (CID 62983956) is 1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is CCNC(CN(C)CCCOC)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The InChIKey is FNZDMGQXGBNGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-18-15(13-19(2)10-7-11-20-3)17-12-14-8-5-6-9-16(14)21-17/h5-6,8-9,12,15,18H,4,7,10-11,13H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine has a molecular weight of 290.41 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62983956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).