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

C14H22ClNO — CID 11299819

IUPAC(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride
SMILESCCC[NH2+]C1CCc2ccc(OC)cc2C1.[Cl-]
InChIInChI=1S/C14H21NO.ClH/c1-3-8-15-13-6-4-11-5-7-14(16-2)10-12(11)9-13;/h5,7,10,13,15H,3-4,6,8-9H2,1-2H3;1H
InChIKeyYOSBFQXBFQPSSC-UHFFFAOYSA-N
MW255.79 g/mol
LogP-1.47
Rot. Bonds4

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

(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride (PubChem CID 11299819) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride.

Molecular Properties

Compound Name(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride
PubChem CID11299819
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride
SMILESCCC[NH2+]C1CCc2ccc(OC)cc2C1.[Cl-]
InChIInChI=1S/C14H21NO.ClH/c1-3-8-15-13-6-4-11-5-7-14(16-2)10-12(11)9-13;/h5,7,10,13,15H,3-4,6,8-9H2,1-2H3;1H
InChIKeyYOSBFQXBFQPSSC-UHFFFAOYSA-N
XLogP-1.47
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 113325923
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine
CID 115510861
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
6-methoxy-2-(4-methoxy-2-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 58035843
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 100968562
(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine
CID 69028967
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpentan-2-ol
CID 103845700

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride?
The IUPAC name of (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride (CID 11299819) is (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride.
What is the SMILES notation for (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride?
The canonical SMILES for (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride is CCC[NH2+]C1CCc2ccc(OC)cc2C1.[Cl-].
What is the InChIKey of (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride?
The InChIKey is YOSBFQXBFQPSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-3-8-15-13-6-4-11-5-7-14(16-2)10-12(11)9-13;/h5,7,10,13,15H,3-4,6,8-9H2,1-2H3;1H.
What are the key properties of (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride?
(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride has a molecular weight of 255.79 g/mol, XLogP of -1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride is sourced from PubChem (CID 11299819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).