(2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine

C16H17F2N — CID 10038285

IUPAC(2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine
SMILESC[C@H](CN)C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-11(10-19)16(12-4-2-6-14(17)8-12)13-5-3-7-15(18)9-13/h2-9,11,16H,10,19H2,1H3/t11-/m1/s1
InChIKeyWEEQOTXCUZRCLD-LLVKDONJSA-N
MW261.31 g/mol
LogP3.69
Rot. Bonds4

About (2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine

(2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 10038285) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is (2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine
PubChem CID10038285
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name(2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine
SMILESC[C@H](CN)C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-11(10-19)16(12-4-2-6-14(17)8-12)13-5-3-7-15(18)9-13/h2-9,11,16H,10,19H2,1H3/t11-/m1/s1
InChIKeyWEEQOTXCUZRCLD-LLVKDONJSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of (2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine (CID 10038285) is (2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for (2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine is C[C@H](CN)C(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of (2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is WEEQOTXCUZRCLD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11(10-19)16(12-4-2-6-14(17)8-12)13-5-3-7-15(18)9-13/h2-9,11,16H,10,19H2,1H3/t11-/m1/s1.
What are the key properties of (2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine?
(2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 10038285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).