N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine

C16H23NO — CID 43080080

IUPACN-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO/c1-3-4-5-8-11-17-13(2)16-12-14-9-6-7-10-15(14)18-16/h6-7,9-10,12-13,17H,3-5,8,11H2,1-2H3
InChIKeyMCYVPGKYPMJGCQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.66
Rot. Bonds7

About N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine

N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine (PubChem CID 43080080) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
PubChem CID43080080
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H23NO/c1-3-4-5-8-11-17-13(2)16-12-14-9-6-7-10-15(14)18-16/h6-7,9-10,12-13,17H,3-5,8,11H2,1-2H3
InChIKeyMCYVPGKYPMJGCQ-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

3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207338
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine
CID 63944731
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 97323660
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine (CID 43080080) is N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine is CCCCCCNC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine?
The InChIKey is MCYVPGKYPMJGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-4-5-8-11-17-13(2)16-12-14-9-6-7-10-15(14)18-16/h6-7,9-10,12-13,17H,3-5,8,11H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine?
N-[1-(1-benzofuran-2-yl)ethyl]hexan-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 N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 43080080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).