1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine

C16H23NO — CID 63418453

IUPAC1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO/c1-3-5-6-10-14(17-4-2)16-12-13-9-7-8-11-15(13)18-16/h7-9,11-12,14,17H,3-6,10H2,1-2H3
InChIKeyKOLMCIPCQFJTQU-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.66
Rot. Bonds7

About 1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine

1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine (PubChem CID 63418453) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
PubChem CID63418453
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO/c1-3-5-6-10-14(17-4-2)16-12-13-9-7-8-11-15(13)18-16/h7-9,11-12,14,17H,3-6,10H2,1-2H3
InChIKeyKOLMCIPCQFJTQU-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
CID 107009087
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
CID 79177613
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105043949
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine (CID 63418453) is 1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine is CCCCCC(NCC)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine?
The InChIKey is KOLMCIPCQFJTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-5-6-10-14(17-4-2)16-12-13-9-7-8-11-15(13)18-16/h7-9,11-12,14,17H,3-6,10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine?
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine is sourced from PubChem (CID 63418453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).