(1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine

C20H18FNO2 — CID 171217937

IUPAC(1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine
SMILESN[C@@H](CF)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C20H18FNO2/c21-14-18(22)15-11-12-19(23-16-7-3-1-4-8-16)20(13-15)24-17-9-5-2-6-10-17/h1-13,18H,14,22H2/t18-/m0/s1
InChIKeyHZIRCXNYEOALFD-SFHVURJKSA-N
MW323.37 g/mol
LogP5.24
Rot. Bonds6

About (1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine

(1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine (PubChem CID 171217937) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is (1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine
PubChem CID171217937
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name(1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine
SMILESN[C@@H](CF)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C20H18FNO2/c21-14-18(22)15-11-12-19(23-16-7-3-1-4-8-16)20(13-15)24-17-9-5-2-6-10-17/h1-13,18H,14,22H2/t18-/m0/s1
InChIKeyHZIRCXNYEOALFD-SFHVURJKSA-N
XLogP5.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.37
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3,4-diphenoxyphenyl)propan-1-amine
CID 171217949
(3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol
CID 171198479
(4R)-4-amino-4-(3,4-diphenoxyphenyl)butan-1-ol;hydrochloride
CID 171198482
(1R)-1-(3,4-diphenoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171198444
(1S)-1-(3,4-diphenoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171217962
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
methyl (3S)-3-amino-3-(3,4-diphenoxyphenyl)propanoate
CID 171238957
(3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol
CID 171238973
(S)-cyclopentyl-(3,4-diphenoxyphenyl)methanamine
CID 171217975
methyl (2R)-2-amino-2-(3,4-diphenoxyphenyl)acetate;hydrochloride
CID 171217992
(S)-(3,4-diphenoxyphenyl)-(oxan-4-yl)methanamine
CID 171238967
1-[(1S)-1-(3,4-diphenoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171162806

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine?
The IUPAC name of (1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine (CID 171217937) is (1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine.
What is the SMILES notation for (1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine?
The canonical SMILES for (1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine is N[C@@H](CF)c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1.
What is the InChIKey of (1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine?
The InChIKey is HZIRCXNYEOALFD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18FNO2/c21-14-18(22)15-11-12-19(23-16-7-3-1-4-8-16)20(13-15)24-17-9-5-2-6-10-17/h1-13,18H,14,22H2/t18-/m0/s1.
What are the key properties of (1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine?
(1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine has a molecular weight of 323.37 g/mol, XLogP of 5.24, 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-diphenoxyphenyl)-2-fluoroethanamine is sourced from PubChem (CID 171217937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).