(1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine

C15H16FNO — CID 113247632

IUPAC(1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C15H16FNO/c1-2-14(17)11-7-9-12(10-8-11)18-15-6-4-3-5-13(15)16/h3-10,14H,2,17H2,1H3/t14-/m1/s1
InChIKeyOSAFELWBTVVAEU-CQSZACIVSA-N
MW245.30 g/mol
LogP4.03
Rot. Bonds4

About (1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine

(1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine (PubChem CID 113247632) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine
PubChem CID113247632
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C15H16FNO/c1-2-14(17)11-7-9-12(10-8-11)18-15-6-4-3-5-13(15)16/h3-10,14H,2,17H2,1H3/t14-/m1/s1
InChIKeyOSAFELWBTVVAEU-CQSZACIVSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-fluorophenoxy)phenyl]propan-1-amine
CID 114079138
(1S)-1-(3,4-diphenoxyphenyl)propan-1-amine
CID 171217949
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
CID 103959232
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361
N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
3-[4-(2-fluorophenoxy)phenyl]butanoic acid
CID 82306805
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
2-(2-fluorophenoxy)-1-(4-fluorophenyl)ethanamine
CID 16784701
(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
CID 103959458
1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
CID 112678483

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine (CID 113247632) is (1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine is CC[C@@H](N)c1ccc(Oc2ccccc2F)cc1.
What is the InChIKey of (1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine?
The InChIKey is OSAFELWBTVVAEU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16FNO/c1-2-14(17)11-7-9-12(10-8-11)18-15-6-4-3-5-13(15)16/h3-10,14H,2,17H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine?
(1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine has a molecular weight of 245.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 113247632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).