2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine

C19H27N — CID 105052415

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine
SMILESNC(CC1CC2CCC1C2)c1ccccc1C1CCC1
InChIInChI=1S/C19H27N/c20-19(12-16-11-13-8-9-15(16)10-13)18-7-2-1-6-17(18)14-4-3-5-14/h1-2,6-7,13-16,19H,3-5,8-12,20H2
InChIKeyAKJWXZJNWXCGBS-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.78
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine (PubChem CID 105052415) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine
PubChem CID105052415
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine
SMILESNC(CC1CC2CCC1C2)c1ccccc1C1CCC1
InChIInChI=1S/C19H27N/c20-19(12-16-11-13-8-9-15(16)10-13)18-7-2-1-6-17(18)14-4-3-5-14/h1-2,6-7,13-16,19H,3-5,8-12,20H2
InChIKeyAKJWXZJNWXCGBS-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115853955
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789651
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197828
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dichlorophenyl)ethanamine
CID 43167287
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105167906
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine
CID 79561076
2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine
CID 105167884
1-(2-cyclobutylphenyl)-2-pyridin-4-ylethanamine
CID 114602881
2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine
CID 114602566
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
CID 79562076
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 45281893

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine (CID 105052415) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine is NC(CC1CC2CCC1C2)c1ccccc1C1CCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine?
The InChIKey is AKJWXZJNWXCGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c20-19(12-16-11-13-8-9-15(16)10-13)18-7-2-1-6-17(18)14-4-3-5-14/h1-2,6-7,13-16,19H,3-5,8-12,20H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine has a molecular weight of 269.43 g/mol, XLogP of 4.78, 4 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-cyclobutylphenyl)ethanamine is sourced from PubChem (CID 105052415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).