2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride

C13H20ClNO — CID 175673500

IUPAC2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
SMILESCOc1ccc2c(c1)C(CC[NH3+])CCC2.[Cl-]
InChIInChI=1S/C13H19NO.ClH/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12;/h5-6,9,11H,2-4,7-8,14H2,1H3;1H
InChIKeyCLXZEXNAUCZRIS-UHFFFAOYSA-N
MW241.76 g/mol
LogP-1.25
Rot. Bonds3

About 2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride

2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride (PubChem CID 175673500) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride.

Molecular Properties

Compound Name2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
PubChem CID175673500
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
SMILESCOc1ccc2c(c1)C(CC[NH3+])CCC2.[Cl-]
InChIInChI=1S/C13H19NO.ClH/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12;/h5-6,9,11H,2-4,7-8,14H2,1H3;1H
InChIKeyCLXZEXNAUCZRIS-UHFFFAOYSA-N
XLogP-1.25
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129362608
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine
CID 57180108
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride
CID 67867574
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride?
The IUPAC name of 2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride (CID 175673500) is 2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride.
What is the SMILES notation for 2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride?
The canonical SMILES for 2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride is COc1ccc2c(c1)C(CC[NH3+])CCC2.[Cl-].
What is the InChIKey of 2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride?
The InChIKey is CLXZEXNAUCZRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12;/h5-6,9,11H,2-4,7-8,14H2,1H3;1H.
What are the key properties of 2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride?
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride has a molecular weight of 241.76 g/mol, XLogP of -1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride is sourced from PubChem (CID 175673500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).