N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine

C11H15F2NO — CID 3126331

IUPACN-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-8(7-15-2)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyCDDZYXCZNKAXRZ-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.09
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine

N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 3126331) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine
PubChem CID3126331
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-8(7-15-2)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyCDDZYXCZNKAXRZ-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine (CID 3126331) is N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine is COCC(C)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is CDDZYXCZNKAXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8(7-15-2)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine?
N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 3126331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).