methyl(4-naphthalen-2-yloxybutyl)azanium

C15H20NO+ — CID 7454605

IUPACmethyl(4-naphthalen-2-yloxybutyl)azanium
SMILESC[NH2+]CCCCOc1ccc2ccccc2c1
InChIInChI=1S/C15H19NO/c1-16-10-4-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12,16H,4-5,10-11H2,1H3/p+1
InChIKeyBGNPKSJMUHXEOF-UHFFFAOYSA-O
MW230.33 g/mol
LogP2.19
Rot. Bonds6

About methyl(4-naphthalen-2-yloxybutyl)azanium

methyl(4-naphthalen-2-yloxybutyl)azanium (PubChem CID 7454605) has the molecular formula C15H20NO+ and a molecular weight of 230.33 g/mol. Its IUPAC name is methyl(4-naphthalen-2-yloxybutyl)azanium.

Molecular Properties

Compound Namemethyl(4-naphthalen-2-yloxybutyl)azanium
PubChem CID7454605
Molecular FormulaC15H20NO+
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Namemethyl(4-naphthalen-2-yloxybutyl)azanium
SMILESC[NH2+]CCCCOc1ccc2ccccc2c1
InChIInChI=1S/C15H19NO/c1-16-10-4-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12,16H,4-5,10-11H2,1H3/p+1
InChIKeyBGNPKSJMUHXEOF-UHFFFAOYSA-O
XLogP2.19
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
2-(9-bromononoxy)naphthalene
CID 105343234
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
2-(3-phenylpropoxy)naphthalene
CID 13432986
furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium
CID 7949055
2-ethoxynaphthalene
CID 118978197
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
2-[3-(fluoromethoxy)propoxy]naphthalene
CID 71043107
10-anthracen-2-yloxydecane-1-thiol
CID 10808920
2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile
CID 106710365
7-naphthalen-2-yloxyheptanoic acid
CID 39371628

Frequently Asked Questions

What is the IUPAC name of methyl(4-naphthalen-2-yloxybutyl)azanium?
The IUPAC name of methyl(4-naphthalen-2-yloxybutyl)azanium (CID 7454605) is methyl(4-naphthalen-2-yloxybutyl)azanium.
What is the SMILES notation for methyl(4-naphthalen-2-yloxybutyl)azanium?
The canonical SMILES for methyl(4-naphthalen-2-yloxybutyl)azanium is C[NH2+]CCCCOc1ccc2ccccc2c1.
What is the InChIKey of methyl(4-naphthalen-2-yloxybutyl)azanium?
The InChIKey is BGNPKSJMUHXEOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19NO/c1-16-10-4-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12,16H,4-5,10-11H2,1H3/p+1.
What are the key properties of methyl(4-naphthalen-2-yloxybutyl)azanium?
methyl(4-naphthalen-2-yloxybutyl)azanium has a molecular weight of 230.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(4-naphthalen-2-yloxybutyl)azanium is sourced from PubChem (CID 7454605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).