(1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine

C21H21FN2O — CID 10337090

IUPAC(1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1cccnc1F
InChIInChI=1S/C21H21FN2O/c1-15(17-7-4-3-5-8-17)24-14-16-10-11-20(25-2)19(13-16)18-9-6-12-23-21(18)22/h3-13,15,24H,14H2,1-2H3/t15-/m1/s1
InChIKeyGIWRDDJDHCHBFX-OAHLLOKOSA-N
MW336.41 g/mol
LogP4.75
Rot. Bonds6

About (1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine

(1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine (PubChem CID 10337090) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is (1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine
PubChem CID10337090
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name(1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1cccnc1F
InChIInChI=1S/C21H21FN2O/c1-15(17-7-4-3-5-8-17)24-14-16-10-11-20(25-2)19(13-16)18-9-6-12-23-21(18)22/h3-13,15,24H,14H2,1-2H3/t15-/m1/s1
InChIKeyGIWRDDJDHCHBFX-OAHLLOKOSA-N
XLogP4.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine (CID 10337090) is (1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine is COc1ccc(CN[C@H](C)c2ccccc2)cc1-c1cccnc1F.
What is the InChIKey of (1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine?
The InChIKey is GIWRDDJDHCHBFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-15(17-7-4-3-5-8-17)24-14-16-10-11-20(25-2)19(13-16)18-9-6-12-23-21(18)22/h3-13,15,24H,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine?
(1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine has a molecular weight of 336.41 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[3-(2-fluoro-3-pyridinyl)-4-methoxyphenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 10337090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).