N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine

C17H25NO — CID 114733597

IUPACN-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H25NO/c1-6-18-13(3)11-17(4,5)15-10-14-9-7-8-12(2)16(14)19-15/h7-10,13,18H,6,11H2,1-5H3
InChIKeySUIOGVALVHEARR-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.41
Rot. Bonds5

About N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine

N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine (PubChem CID 114733597) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine
PubChem CID114733597
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H25NO/c1-6-18-13(3)11-17(4,5)15-10-14-9-7-8-12(2)16(14)19-15/h7-10,13,18H,6,11H2,1-5H3
InChIKeySUIOGVALVHEARR-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 105045521
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105045567
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
4-(3,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64715126
N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105185529
2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 114731309
2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine
CID 114729527
4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64717224
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
CID 114733575

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine (CID 114733597) is N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine is CCNC(C)CC(C)(C)c1cc2cccc(C)c2o1.
What is the InChIKey of N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine?
The InChIKey is SUIOGVALVHEARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-6-18-13(3)11-17(4,5)15-10-14-9-7-8-12(2)16(14)19-15/h7-10,13,18H,6,11H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine?
N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine is sourced from PubChem (CID 114733597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).