2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone

C19H26N2O — CID 75419133

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone
SMILESCCN(Cc1ccc(C(=O)N2CC3CCC2C3)cc1)C1CC1
InChIInChI=1S/C19H26N2O/c1-2-20(17-9-10-17)12-14-3-6-16(7-4-14)19(22)21-13-15-5-8-18(21)11-15/h3-4,6-7,15,17-18H,2,5,8-13H2,1H3
InChIKeyUVQGHUXUWVYMEV-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.30
Rot. Bonds5

About 2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone

2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone (PubChem CID 75419133) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone
PubChem CID75419133
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone
SMILESCCN(Cc1ccc(C(=O)N2CC3CCC2C3)cc1)C1CC1
InChIInChI=1S/C19H26N2O/c1-2-20(17-9-10-17)12-14-3-6-16(7-4-14)19(22)21-13-15-5-8-18(21)11-15/h3-4,6-7,15,17-18H,2,5,8-13H2,1H3
InChIKeyUVQGHUXUWVYMEV-UHFFFAOYSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone (CID 75419133) is 2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone is CCN(Cc1ccc(C(=O)N2CC3CCC2C3)cc1)C1CC1.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone?
The InChIKey is UVQGHUXUWVYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-20(17-9-10-17)12-14-3-6-16(7-4-14)19(22)21-13-15-5-8-18(21)11-15/h3-4,6-7,15,17-18H,2,5,8-13H2,1H3.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone?
2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone has a molecular weight of 298.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methanone is sourced from PubChem (CID 75419133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).