N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine

C18H19F2N — CID 79884254

IUPACN-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
SMILESCC(NCc1ccccc1C1CC1)c1c(F)cccc1F
InChIInChI=1S/C18H19F2N/c1-12(18-16(19)7-4-8-17(18)20)21-11-14-5-2-3-6-15(14)13-9-10-13/h2-8,12-13,21H,9-11H2,1H3
InChIKeyBPTBHGIXJBEVOP-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.69
Rot. Bonds5

About N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine

N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine (PubChem CID 79884254) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
PubChem CID79884254
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
SMILESCC(NCc1ccccc1C1CC1)c1c(F)cccc1F
InChIInChI=1S/C18H19F2N/c1-12(18-16(19)7-4-8-17(18)20)21-11-14-5-2-3-6-15(14)13-9-10-13/h2-8,12-13,21H,9-11H2,1H3
InChIKeyBPTBHGIXJBEVOP-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379917
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331
N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
CID 114415138
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115682727
N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine
CID 79984304
2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline
CID 107598245
N-[(2-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
CID 79889217
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol
CID 104980617
N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 79889125

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine (CID 79884254) is N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine is CC(NCc1ccccc1C1CC1)c1c(F)cccc1F.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine?
The InChIKey is BPTBHGIXJBEVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-12(18-16(19)7-4-8-17(18)20)21-11-14-5-2-3-6-15(14)13-9-10-13/h2-8,12-13,21H,9-11H2,1H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine?
N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine has a molecular weight of 287.35 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 79884254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).