(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine

C18H19FN2 — CID 41063932

IUPAC(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine
SMILESC[C@H](N)Cc1cn(Cc2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C18H19FN2/c1-13(20)9-15-12-21(11-14-5-3-2-4-6-14)18-8-7-16(19)10-17(15)18/h2-8,10,12-13H,9,11,20H2,1H3/t13-/m0/s1
InChIKeyIMCYGPKIVVEORV-ZDUSSCGKSA-N
MW282.36 g/mol
LogP3.72
Rot. Bonds4

About (2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine

(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine (PubChem CID 41063932) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is (2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine
PubChem CID41063932
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine
SMILESC[C@H](N)Cc1cn(Cc2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C18H19FN2/c1-13(20)9-15-12-21(11-14-5-3-2-4-6-14)18-8-7-16(19)10-17(15)18/h2-8,10,12-13H,9,11,20H2,1H3/t13-/m0/s1
InChIKeyIMCYGPKIVVEORV-ZDUSSCGKSA-N
XLogP3.72
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine
CID 22363310
1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
CID 66404648
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine
CID 66404853
methyl 2-amino-3-(1-benzylindol-3-yl)propanoate
CID 14659443
2-(chloroamino)-3-[1-[(3-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 87584825
2-[1-[[4-(aminomethyl)phenyl]methyl]-6-fluoro-4-oxoquinolin-3-yl]acetic acid
CID 174604292
2-amino-3-(5-fluoro-1-prop-2-enylindol-3-yl)propanoic acid
CID 156798133
(2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine
CID 41063911
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole
CID 152686747

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine (CID 41063932) is (2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine is C[C@H](N)Cc1cn(Cc2ccccc2)c2ccc(F)cc12.
What is the InChIKey of (2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine?
The InChIKey is IMCYGPKIVVEORV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN2/c1-13(20)9-15-12-21(11-14-5-3-2-4-6-14)18-8-7-16(19)10-17(15)18/h2-8,10,12-13H,9,11,20H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine?
(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine has a molecular weight of 282.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine is sourced from PubChem (CID 41063932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).