N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C15H20F2N2O — CID 107493235

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESNCCN(CC(F)F)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H20F2N2O/c16-14(17)10-19(8-7-18)15(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,13-14H,5-10,18H2
InChIKeyDOTXEEFDSWKMQV-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.84
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107493235) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107493235
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESNCCN(CC(F)F)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H20F2N2O/c16-14(17)10-19(8-7-18)15(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,13-14H,5-10,18H2
InChIKeyDOTXEEFDSWKMQV-UHFFFAOYSA-N
XLogP1.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 107491458
N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126000
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 107491895
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107493238
N-(2-bromoethyl)-N-cyclobutyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127798
N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127696
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127553
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126715
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107491803
N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127829
N-(3-amino-2,2-difluoropropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127316

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107493235) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is NCCN(CC(F)F)C(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is DOTXEEFDSWKMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-14(17)10-19(8-7-18)15(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,13-14H,5-10,18H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107493235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).