(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine

C17H25F2NO2 — CID 99777290

IUPAC(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine
SMILESCOC1(CN[C@@H](c2ccc(F)c(F)c2)C(C)C)CCOCC1
InChIInChI=1S/C17H25F2NO2/c1-12(2)16(13-4-5-14(18)15(19)10-13)20-11-17(21-3)6-8-22-9-7-17/h4-5,10,12,16,20H,6-9,11H2,1-3H3/t16-/m1/s1
InChIKeyKLNOFOUUJNHNAM-MRXNPFEDSA-N
MW313.39 g/mol
LogP3.45
Rot. Bonds6

About (1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine

(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 99777290) has the molecular formula C17H25F2NO2 and a molecular weight of 313.39 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID99777290
Molecular FormulaC17H25F2NO2
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine
SMILESCOC1(CN[C@@H](c2ccc(F)c(F)c2)C(C)C)CCOCC1
InChIInChI=1S/C17H25F2NO2/c1-12(2)16(13-4-5-14(18)15(19)10-13)20-11-17(21-3)6-8-22-9-7-17/h4-5,10,12,16,20H,6-9,11H2,1-3H3/t16-/m1/s1
InChIKeyKLNOFOUUJNHNAM-MRXNPFEDSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

(3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol
CID 99820767
1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760733
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 104705951
(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 97107019
3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 107715417
2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 104759790
1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765724
4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol
CID 104759725
1-(4-ethylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104705857
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 104705771
(2S)-2-[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 99777285
1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104759685

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine (CID 99777290) is (1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine is COC1(CN[C@@H](c2ccc(F)c(F)c2)C(C)C)CCOCC1.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is KLNOFOUUJNHNAM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25F2NO2/c1-12(2)16(13-4-5-14(18)15(19)10-13)20-11-17(21-3)6-8-22-9-7-17/h4-5,10,12,16,20H,6-9,11H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine?
(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 313.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 99777290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).