N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine

C17H25FN2O — CID 97160420

IUPACN-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
SMILESCN(Cc1c(F)cccc1N1CCCC1)C[C@H]1CCOC1
InChIInChI=1S/C17H25FN2O/c1-19(11-14-7-10-21-13-14)12-15-16(18)5-4-6-17(15)20-8-2-3-9-20/h4-6,14H,2-3,7-13H2,1H3/t14-/m1/s1
InChIKeyOSCBFSJMKVPAIL-CQSZACIVSA-N
MW292.40 g/mol
LogP2.89
Rot. Bonds5

About N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine

N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine (PubChem CID 97160420) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
PubChem CID97160420
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
SMILESCN(Cc1c(F)cccc1N1CCCC1)C[C@H]1CCOC1
InChIInChI=1S/C17H25FN2O/c1-19(11-14-7-10-21-13-14)12-15-16(18)5-4-6-17(15)20-8-2-3-9-20/h4-6,14H,2-3,7-13H2,1H3/t14-/m1/s1
InChIKeyOSCBFSJMKVPAIL-CQSZACIVSA-N
XLogP2.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
The IUPAC name of N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine (CID 97160420) is N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine.
What is the SMILES notation for N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
The canonical SMILES for N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine is CN(Cc1c(F)cccc1N1CCCC1)C[C@H]1CCOC1.
What is the InChIKey of N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
The InChIKey is OSCBFSJMKVPAIL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-19(11-14-7-10-21-13-14)12-15-16(18)5-4-6-17(15)20-8-2-3-9-20/h4-6,14H,2-3,7-13H2,1H3/t14-/m1/s1.
What are the key properties of N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine has a molecular weight of 292.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine is sourced from PubChem (CID 97160420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).