N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine

C16H23NO — CID 113287372

IUPACN-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
SMILESCC(C)CCCCNCc1coc2ccccc12
InChIInChI=1S/C16H23NO/c1-13(2)7-5-6-10-17-11-14-12-18-16-9-4-3-8-15(14)16/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3
InChIKeySKRSRDIKAOTSAS-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.35
Rot. Bonds7

About N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine

N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine (PubChem CID 113287372) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
PubChem CID113287372
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
SMILESCC(C)CCCCNCc1coc2ccccc12
InChIInChI=1S/C16H23NO/c1-13(2)7-5-6-10-17-11-14-12-18-16-9-4-3-8-15(14)16/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3
InChIKeySKRSRDIKAOTSAS-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
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)-3-(2-methylpropoxy)propan-1-amine
CID 80701629
N-(1-benzofuran-3-ylmethyl)-3-chloropropan-1-amine
CID 115215675
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
N-(1-benzofuran-3-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103826256
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
CID 115748477

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine (CID 113287372) is N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine is CC(C)CCCCNCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine?
The InChIKey is SKRSRDIKAOTSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)7-5-6-10-17-11-14-12-18-16-9-4-3-8-15(14)16/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine?
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 4.35, 7 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)-5-methylhexan-1-amine is sourced from PubChem (CID 113287372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).