(2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine

C16H18FN — CID 177481068

IUPAC(2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine
SMILES[18F][C@H](CNCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18FN/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h1-10,16,18H,11-13H2/t16-/m0/s1/i17-1
InChIKeyGVTHCAWMZVZBRX-LMGYDARBSA-N
MW242.33 g/mol
LogP3.36
Rot. Bonds6

About (2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine

(2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine (PubChem CID 177481068) has the molecular formula C16H18FN and a molecular weight of 242.33 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine
PubChem CID177481068
Molecular FormulaC16H18FN
Molecular Weight242.33 g/mol
Exact Mass242.14
IUPAC Name(2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine
SMILES[18F][C@H](CNCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18FN/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h1-10,16,18H,11-13H2/t16-/m0/s1/i17-1
InChIKeyGVTHCAWMZVZBRX-LMGYDARBSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-benzyl-1-phenylmethanamine;hydrate
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(2R)-2-fluoro-3-phenylpropan-1-amine
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(2S)-1-(benzylamino)propan-2-ol
CID 964914
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
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(benzylamino)methanethiol
CID 88942779
(benzylamino)methyl-diphenyl-sulfidophosphanium
CID 177401305
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115406032
N-benzyl-2-methoxypropan-1-amine
CID 58887986
N-benzyl-3-chloro-2-methylpropan-1-amine
CID 65031724

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine?
The IUPAC name of (2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine (CID 177481068) is (2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine.
What is the SMILES notation for (2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine?
The canonical SMILES for (2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine is [18F][C@H](CNCc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine?
The InChIKey is GVTHCAWMZVZBRX-LMGYDARBSA-N. The full InChI is InChI=1S/C16H18FN/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h1-10,16,18H,11-13H2/t16-/m0/s1/i17-1.
What are the key properties of (2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine?
(2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine has a molecular weight of 242.33 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine is sourced from PubChem (CID 177481068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).