furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium

C21H26NO2+ — CID 7949055

IUPACfuran-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium
SMILESc1coc(C[NH2+]CCCCCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H25NO2/c1(5-13-22-17-21-10-7-15-24-21)2-6-14-23-20-12-11-18-8-3-4-9-19(18)16-20/h3-4,7-12,15-16,22H,1-2,5-6,13-14,17H2/p+1
InChIKeyVTFBKXKBXZXZFA-UHFFFAOYSA-O
MW324.44 g/mol
LogP4.14
Rot. Bonds10

About furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium

furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium (PubChem CID 7949055) has the molecular formula C21H26NO2+ and a molecular weight of 324.44 g/mol. Its IUPAC name is furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium
PubChem CID7949055
Molecular FormulaC21H26NO2+
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Namefuran-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium
SMILESc1coc(C[NH2+]CCCCCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H25NO2/c1(5-13-22-17-21-10-7-15-24-21)2-6-14-23-20-12-11-18-8-3-4-9-19(18)16-20/h3-4,7-12,15-16,22H,1-2,5-6,13-14,17H2/p+1
InChIKeyVTFBKXKBXZXZFA-UHFFFAOYSA-O
XLogP4.14
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.14
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

methyl(4-naphthalen-2-yloxybutyl)azanium
CID 7454605
1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one
CID 67841364
2-(9-bromononoxy)naphthalene
CID 105343234
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
10-anthracen-2-yloxydecane-1-thiol
CID 10808920
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
1-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)tetrazole
CID 46411011
(2R)-1-(furan-2-ylmethylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 7223566
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
N-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 55631222
2-(3-phenylpropoxy)naphthalene
CID 13432986

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium?
The IUPAC name of furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium (CID 7949055) is furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium.
What is the SMILES notation for furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium?
The canonical SMILES for furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium is c1coc(C[NH2+]CCCCCCOc2ccc3ccccc3c2)c1.
What is the InChIKey of furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium?
The InChIKey is VTFBKXKBXZXZFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25NO2/c1(5-13-22-17-21-10-7-15-24-21)2-6-14-23-20-12-11-18-8-3-4-9-19(18)16-20/h3-4,7-12,15-16,22H,1-2,5-6,13-14,17H2/p+1.
What are the key properties of furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium?
furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium has a molecular weight of 324.44 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium is sourced from PubChem (CID 7949055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).