[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine

C21H26FNO3S — CID 158673497

IUPAC[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine
SMILESC[C@@H](CS(=O)(=O)Cc1ccc(CN)cc1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H26FNO3S/c1-15(13-27(24,25)14-18-6-2-16(11-23)3-7-18)19-8-9-20(22)21(10-19)26-12-17-4-5-17/h2-3,6-10,15,17H,4-5,11-14,23H2,1H3/t15-/m0/s1
InChIKeyFXJHTTKZKYYCSB-HNNXBMFYSA-N
MW391.51 g/mol
LogP3.79
Rot. Bonds9

About [4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine

[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine (PubChem CID 158673497) has the molecular formula C21H26FNO3S and a molecular weight of 391.51 g/mol. Its IUPAC name is [4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine
PubChem CID158673497
Molecular FormulaC21H26FNO3S
Molecular Weight391.51 g/mol
Exact Mass391.16
IUPAC Name[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine
SMILESC[C@@H](CS(=O)(=O)Cc1ccc(CN)cc1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C21H26FNO3S/c1-15(13-27(24,25)14-18-6-2-16(11-23)3-7-18)19-8-9-20(22)21(10-19)26-12-17-4-5-17/h2-3,6-10,15,17H,4-5,11-14,23H2,1H3/t15-/m0/s1
InChIKeyFXJHTTKZKYYCSB-HNNXBMFYSA-N
XLogP3.79
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine with MolForge

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Related Compounds

ethyl 4-[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]butanoate
CID 158673498
4-(1-butylsulfonylbutan-2-yl)-2-(cyclopropylmethoxy)-1-fluorobenzene
CID 58218476
7-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]-1-hydroxy-2H-isoquinolin-3-one
CID 157393300
3-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrrolo[3,4-b]pyrazine-5,7-dione
CID 157126285
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
CID 117320100
2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]imidazo[5,1-e]pyrazole-4,6-dione
CID 161000824
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
1-[[5-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione
CID 158017779
6-[(E)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]-1H-1,3,5-triazine-2,4-dione
CID 159156461
3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione
CID 152958004
1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione
CID 162033896

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine?
The IUPAC name of [4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine (CID 158673497) is [4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine?
The canonical SMILES for [4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine is C[C@@H](CS(=O)(=O)Cc1ccc(CN)cc1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of [4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine?
The InChIKey is FXJHTTKZKYYCSB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26FNO3S/c1-15(13-27(24,25)14-18-6-2-16(11-23)3-7-18)19-8-9-20(22)21(10-19)26-12-17-4-5-17/h2-3,6-10,15,17H,4-5,11-14,23H2,1H3/t15-/m0/s1.
What are the key properties of [4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine?
[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine has a molecular weight of 391.51 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine is sourced from PubChem (CID 158673497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).