N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine

C17H25NO — CID 114733401

IUPACN-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine
SMILESCCCC(CCc1cc2cc(C)ccc2o1)NCC
InChIInChI=1S/C17H25NO/c1-4-6-15(18-5-2)8-9-16-12-14-11-13(3)7-10-17(14)19-16/h7,10-12,15,18H,4-6,8-9H2,1-3H3
InChIKeyMVSROBHHKFKMTD-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.45
Rot. Bonds7

About N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine

N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine (PubChem CID 114733401) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine
PubChem CID114733401
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine
SMILESCCCC(CCc1cc2cc(C)ccc2o1)NCC
InChIInChI=1S/C17H25NO/c1-4-6-15(18-5-2)8-9-16-12-14-11-13(3)7-10-17(14)19-16/h7,10-12,15,18H,4-6,8-9H2,1-3H3
InChIKeyMVSROBHHKFKMTD-UHFFFAOYSA-N
XLogP4.45
TPSA25.17 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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine
CID 114733396
1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine
CID 114733405
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-propylpentan-1-amine
CID 105045144
3-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504583
(5-methyl-1-benzofuran-2-yl)methanethiol
CID 117185273
2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine
CID 114733537
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine
CID 105179544
N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 114731389
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
2-propyl-1-benzofuran-5-amine
CID 22132951
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163930

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine?
The IUPAC name of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine (CID 114733401) is N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine is CCCC(CCc1cc2cc(C)ccc2o1)NCC.
What is the InChIKey of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine?
The InChIKey is MVSROBHHKFKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-6-15(18-5-2)8-9-16-12-14-11-13(3)7-10-17(14)19-16/h7,10-12,15,18H,4-6,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine?
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine has a molecular weight of 259.39 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine is sourced from PubChem (CID 114733401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).