(2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine

C17H18F2N2O — CID 97336740

IUPAC(2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
SMILESCc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C17H18F2N2O/c1-11-2-4-13(20-9-11)10-21-16-6-7-22-17(16)12-3-5-14(18)15(19)8-12/h2-5,8-9,16-17,21H,6-7,10H2,1H3/t16-,17+/m1/s1
InChIKeyPAPYFBBALJDCJH-SJORKVTESA-N
MW304.34 g/mol
LogP3.29
Rot. Bonds4

About (2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine

(2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine (PubChem CID 97336740) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is (2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
PubChem CID97336740
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name(2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
SMILESCc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C17H18F2N2O/c1-11-2-4-13(20-9-11)10-21-16-6-7-22-17(16)12-3-5-14(18)15(19)8-12/h2-5,8-9,16-17,21H,6-7,10H2,1H3/t16-,17+/m1/s1
InChIKeyPAPYFBBALJDCJH-SJORKVTESA-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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Related Compounds

(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 97336733
(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
CID 99835495
(2S,3S)-2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 97336721
2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 75445170
(2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine
CID 97336723
(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 99835530
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 128976336
N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80710323
N-[(5-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 80708604
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133435266
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254
2,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 80709898

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine?
The IUPAC name of (2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine (CID 97336740) is (2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine is Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)nc1.
What is the InChIKey of (2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine?
The InChIKey is PAPYFBBALJDCJH-SJORKVTESA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-11-2-4-13(20-9-11)10-21-16-6-7-22-17(16)12-3-5-14(18)15(19)8-12/h2-5,8-9,16-17,21H,6-7,10H2,1H3/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine?
(2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-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,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine is sourced from PubChem (CID 97336740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).