[5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine

C15H20ClFN2O — CID 117481337

IUPAC[5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cc(F)cc(Cl)c1OC1CC1
InChIInChI=1S/C15H20ClFN2O/c1-19-8-9(7-18)4-14(19)12-5-10(17)6-13(16)15(12)20-11-2-3-11/h5-6,9,11,14H,2-4,7-8,18H2,1H3
InChIKeyMDROAOYYEZEWNO-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.97
Rot. Bonds4

About [5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117481337) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is [5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117481337
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name[5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cc(F)cc(Cl)c1OC1CC1
InChIInChI=1S/C15H20ClFN2O/c1-19-8-9(7-18)4-14(19)12-5-10(17)6-13(16)15(12)20-11-2-3-11/h5-6,9,11,14H,2-4,7-8,18H2,1H3
InChIKeyMDROAOYYEZEWNO-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117481337) is [5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1cc(F)cc(Cl)c1OC1CC1.
What is the InChIKey of [5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is MDROAOYYEZEWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-19-8-9(7-18)4-14(19)12-5-10(17)6-13(16)15(12)20-11-2-3-11/h5-6,9,11,14H,2-4,7-8,18H2,1H3.
What are the key properties of [5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 298.79 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117481337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).