(1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol

C17H23FN2O — CID 71050144

IUPAC(1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol
SMILESCN1C2C=C(c3ccc([C@@H](O)[C@H](N)CF)cc3)CC1CC2
InChIInChI=1S/C17H23FN2O/c1-20-14-6-7-15(20)9-13(8-14)11-2-4-12(5-3-11)17(21)16(19)10-18/h2-5,8,14-17,21H,6-7,9-10,19H2,1H3/t14?,15?,16-,17-/m1/s1
InChIKeyRTMBCGKJLDTYSQ-BHUNQDJPSA-N
MW290.38 g/mol
LogP2.27
Rot. Bonds4

About (1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol

(1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol (PubChem CID 71050144) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is (1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol
PubChem CID71050144
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name(1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol
SMILESCN1C2C=C(c3ccc([C@@H](O)[C@H](N)CF)cc3)CC1CC2
InChIInChI=1S/C17H23FN2O/c1-20-14-6-7-15(20)9-13(8-14)11-2-4-12(5-3-11)17(21)16(19)10-18/h2-5,8,14-17,21H,6-7,9-10,19H2,1H3/t14?,15?,16-,17-/m1/s1
InChIKeyRTMBCGKJLDTYSQ-BHUNQDJPSA-N
XLogP2.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol (CID 71050144) is (1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol is CN1C2C=C(c3ccc([C@@H](O)[C@H](N)CF)cc3)CC1CC2.
What is the InChIKey of (1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol?
The InChIKey is RTMBCGKJLDTYSQ-BHUNQDJPSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-20-14-6-7-15(20)9-13(8-14)11-2-4-12(5-3-11)17(21)16(19)10-18/h2-5,8,14-17,21H,6-7,9-10,19H2,1H3/t14?,15?,16-,17-/m1/s1.
What are the key properties of (1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol?
(1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol has a molecular weight of 290.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol is sourced from PubChem (CID 71050144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).