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

C11H15F2NO — CID 792686

IUPAC(2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@H](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/t8-/m0/s1
InChIKeyCDDZYXCZNKAXRZ-QMMMGPOBSA-N
MW215.24 g/mol
LogP2.09
Rot. Bonds5

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

(2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 792686) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine
PubChem CID792686
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@H](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/t8-/m0/s1
InChIKeyCDDZYXCZNKAXRZ-QMMMGPOBSA-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 (2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of (2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine (CID 792686) is (2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for (2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine is COC[C@H](C)NCc1cc(F)ccc1F.
What is the InChIKey of (2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is CDDZYXCZNKAXRZ-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine?
(2S)-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 (2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 792686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).