2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine

C16H26N2O — CID 115702426

IUPAC2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1ccc2c(c1)COC2
InChIInChI=1S/C16H26N2O/c1-4-18(5-2)10-13(3)17-9-14-6-7-15-11-19-12-16(15)8-14/h6-8,13,17H,4-5,9-12H2,1-3H3
InChIKeyXLMGKYVGHXWZKI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.54
Rot. Bonds7

About 2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine

2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 115702426) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID115702426
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1ccc2c(c1)COC2
InChIInChI=1S/C16H26N2O/c1-4-18(5-2)10-13(3)17-9-14-6-7-15-11-19-12-16(15)8-14/h6-8,13,17H,4-5,9-12H2,1-3H3
InChIKeyXLMGKYVGHXWZKI-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine with MolForge

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Related Compounds

[3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol
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(2S)-2-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
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N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine
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1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 103109579
4-[[1-(diethylamino)propan-2-ylamino]methyl]-2-methoxybenzonitrile
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CID 82945359
2-N-[(2-bromo-5-methoxyphenyl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 65324217
5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65304087
2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine (CID 115702426) is 2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)NCc1ccc2c(c1)COC2.
What is the InChIKey of 2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is XLMGKYVGHXWZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(5-2)10-13(3)17-9-14-6-7-15-11-19-12-16(15)8-14/h6-8,13,17H,4-5,9-12H2,1-3H3.
What are the key properties of 2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine?
2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 115702426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).