(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine

C17H18F2N2O — CID 97336733

IUPAC(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
SMILESCc1ncccc1CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O/c1-11-13(3-2-7-20-11)10-21-16-6-8-22-17(16)12-4-5-14(18)15(19)9-12/h2-5,7,9,16-17,21H,6,8,10H2,1H3/t16-,17-/m0/s1
InChIKeySDARCUPRKCHXFG-IRXDYDNUSA-N
MW304.34 g/mol
LogP3.29
Rot. Bonds4

About (2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine

(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine (PubChem CID 97336733) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is (2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
PubChem CID97336733
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
SMILESCc1ncccc1CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O/c1-11-13(3-2-7-20-11)10-21-16-6-8-22-17(16)12-4-5-14(18)15(19)9-12/h2-5,7,9,16-17,21H,6,8,10H2,1H3/t16-,17-/m0/s1
InChIKeySDARCUPRKCHXFG-IRXDYDNUSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine?
The IUPAC name of (2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine (CID 97336733) is (2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine is Cc1ncccc1CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine?
The InChIKey is SDARCUPRKCHXFG-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-11-13(3-2-7-20-11)10-21-16-6-8-22-17(16)12-4-5-14(18)15(19)9-12/h2-5,7,9,16-17,21H,6,8,10H2,1H3/t16-,17-/m0/s1.
What are the key properties of (2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine?
(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine has a molecular weight of 304.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine is sourced from PubChem (CID 97336733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).