(2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine

C17H19F2N — CID 11587182

IUPAC(2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNC[C@H](C)C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H19F2N/c1-12(11-20-2)17(13-5-3-7-15(18)9-13)14-6-4-8-16(19)10-14/h3-10,12,17,20H,11H2,1-2H3/t12-/m0/s1
InChIKeyPWAGUZJFUDFXDU-LBPRGKRZSA-N
MW275.34 g/mol
LogP3.95
Rot. Bonds5

About (2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine

(2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine (PubChem CID 11587182) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is (2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine
PubChem CID11587182
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name(2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNC[C@H](C)C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H19F2N/c1-12(11-20-2)17(13-5-3-7-15(18)9-13)14-6-4-8-16(19)10-14/h3-10,12,17,20H,11H2,1-2H3/t12-/m0/s1
InChIKeyPWAGUZJFUDFXDU-LBPRGKRZSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of (2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine (CID 11587182) is (2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for (2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for (2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine is CNC[C@H](C)C(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of (2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is PWAGUZJFUDFXDU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12(11-20-2)17(13-5-3-7-15(18)9-13)14-6-4-8-16(19)10-14/h3-10,12,17,20H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine?
(2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 11587182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).