(2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine

C10H14FN — CID 57483485

IUPAC(2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCN[C@H](C)Cc1cccc(F)c1
InChIInChI=1S/C10H14FN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h3-5,7-8,12H,6H2,1-2H3/t8-/m1/s1
InChIKeyRRVAUTPWWWFYQT-MRVPVSSYSA-N
MW167.23 g/mol
LogP1.98
Rot. Bonds3

About (2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine

(2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 57483485) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine
PubChem CID57483485
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCN[C@H](C)Cc1cccc(F)c1
InChIInChI=1S/C10H14FN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h3-5,7-8,12H,6H2,1-2H3/t8-/m1/s1
InChIKeyRRVAUTPWWWFYQT-MRVPVSSYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of (2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine (CID 57483485) is (2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for (2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for (2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine is CN[C@H](C)Cc1cccc(F)c1.
What is the InChIKey of (2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is RRVAUTPWWWFYQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14FN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h3-5,7-8,12H,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine?
(2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 167.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 57483485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).