(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride

C14H15ClFNO — CID 171220046

IUPAC(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H14FNO.ClH/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12;/h1-9,14H,10,16H2;1H/t14-;/m0./s1
InChIKeyXGMUOMYMASDDEL-UQKRIMTDSA-N
MW267.73 g/mol
LogP3.87
Rot. Bonds4

About (1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride

(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride (PubChem CID 171220046) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is (1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
PubChem CID171220046
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H14FNO.ClH/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12;/h1-9,14H,10,16H2;1H/t14-;/m0./s1
InChIKeyXGMUOMYMASDDEL-UQKRIMTDSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile
CID 171260327
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
(1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine
CID 171217937
(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171239754
(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
CID 171200529
(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171246480
(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171208580

Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride (CID 171220046) is (1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride is Cl.N[C@@H](CF)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
The InChIKey is XGMUOMYMASDDEL-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H14FNO.ClH/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12;/h1-9,14H,10,16H2;1H/t14-;/m0./s1.
What are the key properties of (1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride has a molecular weight of 267.73 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171220046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).