N-(1-benzofuran-3-ylmethyl)octan-2-amine

C17H25NO — CID 80700860

IUPACN-(1-benzofuran-3-ylmethyl)octan-2-amine
SMILESCCCCCCC(C)NCc1coc2ccccc12
InChIInChI=1S/C17H25NO/c1-3-4-5-6-9-14(2)18-12-15-13-19-17-11-8-7-10-16(15)17/h7-8,10-11,13-14,18H,3-6,9,12H2,1-2H3
InChIKeyQVHHJBCLPWSDQF-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.88
Rot. Bonds8

About N-(1-benzofuran-3-ylmethyl)octan-2-amine

N-(1-benzofuran-3-ylmethyl)octan-2-amine (PubChem CID 80700860) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)octan-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)octan-2-amine
PubChem CID80700860
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(1-benzofuran-3-ylmethyl)octan-2-amine
SMILESCCCCCCC(C)NCc1coc2ccccc12
InChIInChI=1S/C17H25NO/c1-3-4-5-6-9-14(2)18-12-15-13-19-17-11-8-7-10-16(15)17/h7-8,10-11,13-14,18H,3-6,9,12H2,1-2H3
InChIKeyQVHHJBCLPWSDQF-UHFFFAOYSA-N
XLogP4.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.88
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-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115750426
(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
CID 115750447
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine
CID 80703561
N-[(2-chlorophenyl)methyl]nonan-2-amine
CID 43129766
N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 80703134
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
3-(1-benzofuran-3-ylmethylamino)butanamide
CID 115677058
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)octan-2-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)octan-2-amine (CID 80700860) is N-(1-benzofuran-3-ylmethyl)octan-2-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)octan-2-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)octan-2-amine is CCCCCCC(C)NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)octan-2-amine?
The InChIKey is QVHHJBCLPWSDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-4-5-6-9-14(2)18-12-15-13-19-17-11-8-7-10-16(15)17/h7-8,10-11,13-14,18H,3-6,9,12H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)octan-2-amine?
N-(1-benzofuran-3-ylmethyl)octan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)octan-2-amine is sourced from PubChem (CID 80700860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).