(1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine

C15H21F2NO2 — CID 97333998

IUPAC(1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine
SMILESCOC[C@H](NC[C@@H]1CCCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-19-10-15(11-5-6-13(16)14(17)8-11)18-9-12-4-2-3-7-20-12/h5-6,8,12,15,18H,2-4,7,9-10H2,1H3/t12-,15-/m0/s1
InChIKeyCYGMELKHHJQHRQ-WFASDCNBSA-N
MW285.33 g/mol
LogP2.81
Rot. Bonds6

About (1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine

(1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine (PubChem CID 97333998) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine
PubChem CID97333998
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name(1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine
SMILESCOC[C@H](NC[C@@H]1CCCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-19-10-15(11-5-6-13(16)14(17)8-11)18-9-12-4-2-3-7-20-12/h5-6,8,12,15,18H,2-4,7,9-10H2,1H3/t12-,15-/m0/s1
InChIKeyCYGMELKHHJQHRQ-WFASDCNBSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 82316272
1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983538
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
methyl 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 60993064
methyl 2-(3-chloro-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 81145280
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 62797333
[1-(3,4-difluorophenyl)-2-methoxyethyl]hydrazine
CID 105197185
1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 55013993
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95325731
2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 102977996
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine (CID 97333998) is (1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine is COC[C@H](NC[C@@H]1CCCCO1)c1ccc(F)c(F)c1.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine?
The InChIKey is CYGMELKHHJQHRQ-WFASDCNBSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-19-10-15(11-5-6-13(16)14(17)8-11)18-9-12-4-2-3-7-20-12/h5-6,8,12,15,18H,2-4,7,9-10H2,1H3/t12-,15-/m0/s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine?
(1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 2.81, 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)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine is sourced from PubChem (CID 97333998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).