(1S)-2-(difluoromethoxy)-1-phenylethanamine

C9H11F2NO — CID 118168971

IUPAC(1S)-2-(difluoromethoxy)-1-phenylethanamine
SMILESN[C@H](COC(F)F)c1ccccc1
InChIInChI=1S/C9H11F2NO/c10-9(11)13-6-8(12)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2/t8-/m1/s1
InChIKeySHDHZAMTPRSZFR-MRVPVSSYSA-N
MW187.19 g/mol
LogP1.93
Rot. Bonds4

About (1S)-2-(difluoromethoxy)-1-phenylethanamine

(1S)-2-(difluoromethoxy)-1-phenylethanamine (PubChem CID 118168971) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (1S)-2-(difluoromethoxy)-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-2-(difluoromethoxy)-1-phenylethanamine
PubChem CID118168971
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(1S)-2-(difluoromethoxy)-1-phenylethanamine
SMILESN[C@H](COC(F)F)c1ccccc1
InChIInChI=1S/C9H11F2NO/c10-9(11)13-6-8(12)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2/t8-/m1/s1
InChIKeySHDHZAMTPRSZFR-MRVPVSSYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-amino-2-(difluoromethoxy)ethyl]phenol
CID 84721532
1-phenyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275435
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
1-(2-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724924
[(2S)-1-(difluoromethoxy)-3-methylbutan-2-yl]benzene
CID 118371685
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
2-pentoxy-1-phenylethanamine
CID 43275081
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
(1R)-2-(dihydroxyamino)oxy-1-phenylethanamine
CID 91150002
(1S)-1-phenyl-2-prop-2-ynoxyethanamine
CID 146597037
4-amino-1-fluoro-4-phenylbutan-1-ol
CID 102340045
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(difluoromethoxy)-1-phenylethanamine?
The IUPAC name of (1S)-2-(difluoromethoxy)-1-phenylethanamine (CID 118168971) is (1S)-2-(difluoromethoxy)-1-phenylethanamine.
What is the SMILES notation for (1S)-2-(difluoromethoxy)-1-phenylethanamine?
The canonical SMILES for (1S)-2-(difluoromethoxy)-1-phenylethanamine is N[C@H](COC(F)F)c1ccccc1.
What is the InChIKey of (1S)-2-(difluoromethoxy)-1-phenylethanamine?
The InChIKey is SHDHZAMTPRSZFR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-9(11)13-6-8(12)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2/t8-/m1/s1.
What are the key properties of (1S)-2-(difluoromethoxy)-1-phenylethanamine?
(1S)-2-(difluoromethoxy)-1-phenylethanamine has a molecular weight of 187.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(difluoromethoxy)-1-phenylethanamine is sourced from PubChem (CID 118168971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).