2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine

C18H27N — CID 43104194

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CC2CC3CCC2C3)c(C)c1
InChIInChI=1S/C18H27N/c1-11-6-12(2)18(13(3)7-11)17(19)10-16-9-14-4-5-15(16)8-14/h6-7,14-17H,4-5,8-10,19H2,1-3H3
InChIKeyNSCULGZTBBCHTG-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.44
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 43104194) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID43104194
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CC2CC3CCC2C3)c(C)c1
InChIInChI=1S/C18H27N/c1-11-6-12(2)18(13(3)7-11)17(19)10-16-9-14-4-5-15(16)8-14/h6-7,14-17H,4-5,8-10,19H2,1-3H3
InChIKeyNSCULGZTBBCHTG-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine (CID 43104194) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)CC2CC3CCC2C3)c(C)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is NSCULGZTBBCHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-11-6-12(2)18(13(3)7-11)17(19)10-16-9-14-4-5-15(16)8-14/h6-7,14-17H,4-5,8-10,19H2,1-3H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 43104194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).