6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine

C15H23NO — CID 65306411

IUPAC6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine
SMILESCNCCCCCCc1ccc2c(c1)COC2
InChIInChI=1S/C15H23NO/c1-16-9-5-3-2-4-6-13-7-8-14-11-17-12-15(14)10-13/h7-8,10,16H,2-6,9,11-12H2,1H3
InChIKeyWLBIPSLJQPIHRC-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.04
Rot. Bonds7

About 6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine

6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine (PubChem CID 65306411) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine
PubChem CID65306411
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine
SMILESCNCCCCCCc1ccc2c(c1)COC2
InChIInChI=1S/C15H23NO/c1-16-9-5-3-2-4-6-13-7-8-14-11-17-12-15(14)10-13/h7-8,10,16H,2-6,9,11-12H2,1H3
InChIKeyWLBIPSLJQPIHRC-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.04
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

6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine
CID 65305663
6-(3,4-dichlorophenyl)-N-methylhexan-1-amine
CID 65308866
6-(4-ethylphenyl)-N-methylhexan-1-amine
CID 65308799
N-methyl-9-phenylnonan-1-amine
CID 10609702
5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine
CID 65304136
5-(1,3-dihydro-2-benzofuran-5-yl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65304087
22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene
CID 23276776
1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride
CID 47002851
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
CID 115105456
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
N-methyl-6-(3-phenylphenyl)hexan-1-amine
CID 142524763
N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65308449

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine?
The IUPAC name of 6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine (CID 65306411) is 6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine.
What is the SMILES notation for 6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine?
The canonical SMILES for 6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine is CNCCCCCCc1ccc2c(c1)COC2.
What is the InChIKey of 6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine?
The InChIKey is WLBIPSLJQPIHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16-9-5-3-2-4-6-13-7-8-14-11-17-12-15(14)10-13/h7-8,10,16H,2-6,9,11-12H2,1H3.
What are the key properties of 6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine?
6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine is sourced from PubChem (CID 65306411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).