2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C14H21N — CID 82076847

IUPAC2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCc1ccc(C)c2c1CCCC2CCN
InChIInChI=1S/C14H21N/c1-10-6-7-11(2)14-12(8-9-15)4-3-5-13(10)14/h6-7,12H,3-5,8-9,15H2,1-2H3
InChIKeyLTUNLMUXCXPOMK-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.07
Rot. Bonds2

About 2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 82076847) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID82076847
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCc1ccc(C)c2c1CCCC2CCN
InChIInChI=1S/C14H21N/c1-10-6-7-11(2)14-12(8-9-15)4-3-5-13(10)14/h6-7,12H,3-5,8-9,15H2,1-2H3
InChIKeyLTUNLMUXCXPOMK-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 82076847) is 2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is Cc1ccc(C)c2c1CCCC2CCN.
What is the InChIKey of 2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is LTUNLMUXCXPOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-6-7-11(2)14-12(8-9-15)4-3-5-13(10)14/h6-7,12H,3-5,8-9,15H2,1-2H3.
What are the key properties of 2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 203.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 82076847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).