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

C12H17F2NO — CID 115608052

IUPACN-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-12(2,8-16-3)15-7-9-6-10(13)4-5-11(9)14/h4-6,15H,7-8H2,1-3H3
InChIKeyKNAUVICVISIEQR-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.48
Rot. Bonds5

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

N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine (PubChem CID 115608052) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine
PubChem CID115608052
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-12(2,8-16-3)15-7-9-6-10(13)4-5-11(9)14/h4-6,15H,7-8H2,1-3H3
InChIKeyKNAUVICVISIEQR-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(2,5-difluorophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134701
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115608043
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylbutan-2-amine
CID 115762196
1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 113237042
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
2-[(2,5-difluorophenyl)methylamino]-2-ethylbutanoic acid
CID 78950760
N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696624
2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132726
N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966818
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 43312508

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine (CID 115608052) is N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine is COCC(C)(C)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine?
The InChIKey is KNAUVICVISIEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,8-16-3)15-7-9-6-10(13)4-5-11(9)14/h4-6,15H,7-8H2,1-3H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine?
N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.48, 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-methoxy-2-methylpropan-2-amine is sourced from PubChem (CID 115608052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).