2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride

C17H23ClNO- — CID 21228756

IUPAC2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride
SMILESCCCCc1ccc2ccccc2c1OCCNC.[Cl-]
InChIInChI=1S/C17H23NO.ClH/c1-3-4-7-15-11-10-14-8-5-6-9-16(14)17(15)19-13-12-18-2;/h5-6,8-11,18H,3-4,7,12-13H2,1-2H3;1H/p-1
InChIKeyUSNGZCSTCYBINV-UHFFFAOYSA-M
MW292.83 g/mol
LogP0.78
Rot. Bonds7

About 2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride

2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride (PubChem CID 21228756) has the molecular formula C17H23ClNO- and a molecular weight of 292.83 g/mol. Its IUPAC name is 2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride.

Molecular Properties

Compound Name2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride
PubChem CID21228756
Molecular FormulaC17H23ClNO-
Molecular Weight292.83 g/mol
Exact Mass292.15
IUPAC Name2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride
SMILESCCCCc1ccc2ccccc2c1OCCNC.[Cl-]
InChIInChI=1S/C17H23NO.ClH/c1-3-4-7-15-11-10-14-8-5-6-9-16(14)17(15)19-13-12-18-2;/h5-6,8-11,18H,3-4,7,12-13H2,1-2H3;1H/p-1
InChIKeyUSNGZCSTCYBINV-UHFFFAOYSA-M
XLogP0.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 50.78
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

2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
2-butyl-1-(4-tert-butylphenoxy)naphthalene
CID 134929474
1-butylnaphthalene;ethane
CID 142087052
1,2-dibutylnaphthalene;naphthalene
CID 157292740
1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride
CID 21228753
azane;1-butylnaphthalene;methane
CID 174691035
4-butyl-N-methylnaphthalen-1-amine
CID 174691031
tris(2-octadecylnaphthalen-1-yl) phosphate
CID 139785035
1-methoxy-2-propylnaphthalene
CID 19091368
2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene
CID 67797892
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
8-butylbenzo[e]pyrene
CID 150037437

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride?
The IUPAC name of 2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride (CID 21228756) is 2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride.
What is the SMILES notation for 2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride?
The canonical SMILES for 2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride is CCCCc1ccc2ccccc2c1OCCNC.[Cl-].
What is the InChIKey of 2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride?
The InChIKey is USNGZCSTCYBINV-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H23NO.ClH/c1-3-4-7-15-11-10-14-8-5-6-9-16(14)17(15)19-13-12-18-2;/h5-6,8-11,18H,3-4,7,12-13H2,1-2H3;1H/p-1.
What are the key properties of 2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride?
2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride has a molecular weight of 292.83 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylnaphthalen-1-yl)oxy-N-methylethanamine chloride is sourced from PubChem (CID 21228756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).