(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine

C15H16FNO — CID 11160917

IUPAC(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine
SMILESN[C@@H](COCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C15H16FNO/c16-14-8-4-5-12(9-14)10-18-11-15(17)13-6-2-1-3-7-13/h1-9,15H,10-11,17H2/t15-/m0/s1
InChIKeyOIQGCKFJRVLMQF-HNNXBMFYSA-N
MW245.30 g/mol
LogP3.04
Rot. Bonds5

About (1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine

(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine (PubChem CID 11160917) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine
PubChem CID11160917
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine
SMILESN[C@@H](COCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C15H16FNO/c16-14-8-4-5-12(9-14)10-18-11-15(17)13-6-2-1-3-7-13/h1-9,15H,10-11,17H2/t15-/m0/s1
InChIKeyOIQGCKFJRVLMQF-HNNXBMFYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine?
The IUPAC name of (1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine (CID 11160917) is (1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine.
What is the SMILES notation for (1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine?
The canonical SMILES for (1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine is N[C@@H](COCc1cccc(F)c1)c1ccccc1.
What is the InChIKey of (1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine?
The InChIKey is OIQGCKFJRVLMQF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-14-8-4-5-12(9-14)10-18-11-15(17)13-6-2-1-3-7-13/h1-9,15H,10-11,17H2/t15-/m0/s1.
What are the key properties of (1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine?
(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine has a molecular weight of 245.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethanamine is sourced from PubChem (CID 11160917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).