N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine

C16H26N2O — CID 66360803

IUPACN,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
SMILESCCNCCN(CC)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C16H26N2O/c1-4-17-8-9-18(5-2)12-15-11-14-10-13(3)6-7-16(14)19-15/h6-7,10,15,17H,4-5,8-9,11-12H2,1-3H3
InChIKeyDRBFOHZGGONEEN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds7

About N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine

N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 66360803) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID66360803
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
SMILESCCNCCN(CC)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C16H26N2O/c1-4-17-8-9-18(5-2)12-15-11-14-10-13(3)6-7-16(14)19-15/h6-7,10,15,17H,4-5,8-9,11-12H2,1-3H3
InChIKeyDRBFOHZGGONEEN-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308
N',N'-diethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66361145
N'-ethyl-N'-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66361548
N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
CID 66361837
2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine
CID 79665281
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
N-(2-chloroethyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66362785
N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
CID 66360873
N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66360006
2-(2-bromoethoxy)-N-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 114242624
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66361361

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine (CID 66360803) is N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine is CCNCCN(CC)CC1Cc2cc(C)ccc2O1.
What is the InChIKey of N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is DRBFOHZGGONEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-8-9-18(5-2)12-15-11-14-10-13(3)6-7-16(14)19-15/h6-7,10,15,17H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 66360803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).