(1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine

C16H18BrNO — CID 97321709

IUPAC(1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine
SMILESC[C@@H](N[C@H](c1ccccc1)C1CC1)c1occc1Br
InChIInChI=1S/C16H18BrNO/c1-11(16-14(17)9-10-19-16)18-15(13-7-8-13)12-5-3-2-4-6-12/h2-6,9-11,13,15,18H,7-8H2,1H3/t11-,15-/m1/s1
InChIKeyNARUBECAUNHION-IAQYHMDHSA-N
MW320.23 g/mol
LogP4.84
Rot. Bonds5

About (1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine

(1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine (PubChem CID 97321709) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine
PubChem CID97321709
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine
SMILESC[C@@H](N[C@H](c1ccccc1)C1CC1)c1occc1Br
InChIInChI=1S/C16H18BrNO/c1-11(16-14(17)9-10-19-16)18-15(13-7-8-13)12-5-3-2-4-6-12/h2-6,9-11,13,15,18H,7-8H2,1H3/t11-,15-/m1/s1
InChIKeyNARUBECAUNHION-IAQYHMDHSA-N
XLogP4.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine (CID 97321709) is (1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine is C[C@@H](N[C@H](c1ccccc1)C1CC1)c1occc1Br.
What is the InChIKey of (1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine?
The InChIKey is NARUBECAUNHION-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11(16-14(17)9-10-19-16)18-15(13-7-8-13)12-5-3-2-4-6-12/h2-6,9-11,13,15,18H,7-8H2,1H3/t11-,15-/m1/s1.
What are the key properties of (1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine?
(1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine has a molecular weight of 320.23 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine is sourced from PubChem (CID 97321709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).