(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine

C9H11F2NO — CID 55272435

IUPAC(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3/t9-/m0/s1
InChIKeyVIWROIUFQRGDPN-VIFPVBQESA-N
MW187.19 g/mol
LogP1.61
Rot. Bonds3

About (1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine

(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine (PubChem CID 55272435) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
PubChem CID55272435
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3/t9-/m0/s1
InChIKeyVIWROIUFQRGDPN-VIFPVBQESA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
4-[(1S)-1-amino-2-methoxyethyl]-2,6-difluoroaniline
CID 131118509
(1R)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 131142487
(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 130731385
1-(3,5-difluorophenyl)-2-methoxyethanol
CID 62791322
1-(3,5-dichlorophenyl)-2-methoxyethanamine
CID 112693325
(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
CID 131077040
1-(2,6-dimethyl-4-pyridinyl)-2-methoxyethanamine
CID 107503103
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
methyl 3-amino-3-(3,5-difluorophenyl)propanoate;hydrochloride
CID 171158674
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine?
The IUPAC name of (1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine (CID 55272435) is (1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine.
What is the SMILES notation for (1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine?
The canonical SMILES for (1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine is COC[C@H](N)c1cc(F)cc(F)c1.
What is the InChIKey of (1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine?
The InChIKey is VIWROIUFQRGDPN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11F2NO/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9H,5,12H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine?
(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine has a molecular weight of 187.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine is sourced from PubChem (CID 55272435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).