(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine

C11H15F2NO — CID 777013

IUPAC(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@H](C)NCc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-8(7-15-2)14-6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyAVAGRZSTJMCDSH-QMMMGPOBSA-N
MW215.24 g/mol
LogP2.09
Rot. Bonds5

About (2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine

(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 777013) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
PubChem CID777013
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@H](C)NCc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-8(7-15-2)14-6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyAVAGRZSTJMCDSH-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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Related Compounds

N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
CID 64602570
N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
(2R)-2-N-[(2,6-difluorophenyl)methyl]propane-1,2-diamine
CID 104868138
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
4-chloro-N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 114934206
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
3-chloro-2-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]phenol
CID 96951594
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
N-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
CID 44890739
N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452789
(2R)-N-[(2-fluoro-6-methoxyphenyl)methyl]-1-phenylpropan-2-amine
CID 70867035

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of (2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine (CID 777013) is (2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for (2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine is COC[C@H](C)NCc1c(F)cccc1F.
What is the InChIKey of (2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is AVAGRZSTJMCDSH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8(7-15-2)14-6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine?
(2S)-N-[(2,6-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-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 777013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).