N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine

C16H23NO — CID 43226064

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1c(CC)oc2ccccc12
InChIInChI=1S/C16H23NO/c1-3-5-8-11-17-12-14-13-9-6-7-10-16(13)18-15(14)4-2/h6-7,9-10,17H,3-5,8,11-12H2,1-2H3
InChIKeyVVJKFCRYQBVLAT-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.28
Rot. Bonds7

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine

N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine (PubChem CID 43226064) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
PubChem CID43226064
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1c(CC)oc2ccccc12
InChIInChI=1S/C16H23NO/c1-3-5-8-11-17-12-14-13-9-6-7-10-16(13)18-15(14)4-2/h6-7,9-10,17H,3-5,8,11-12H2,1-2H3
InChIKeyVVJKFCRYQBVLAT-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
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

N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43392179
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982938
ethyl 4-[(2-ethyl-1-benzofuran-3-yl)methylamino]butanoate
CID 64578726
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 60902981
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine
CID 60669582

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine (CID 43226064) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine is CCCCCNCc1c(CC)oc2ccccc12.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine?
The InChIKey is VVJKFCRYQBVLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-5-8-11-17-12-14-13-9-6-7-10-16(13)18-15(14)4-2/h6-7,9-10,17H,3-5,8,11-12H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine is sourced from PubChem (CID 43226064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).