1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine

C18H25FN2 — CID 163218528

IUPAC1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine
SMILESFc1ccc(C2(NC[C@H]3CCCN3)CCC2)cc1C1CC1
InChIInChI=1S/C18H25FN2/c19-17-7-6-14(11-16(17)13-4-5-13)18(8-2-9-18)21-12-15-3-1-10-20-15/h6-7,11,13,15,20-21H,1-5,8-10,12H2/t15-/m1/s1
InChIKeyMWULTNLHUXOKKG-OAHLLOKOSA-N
MW288.41 g/mol
LogP3.42
Rot. Bonds5

About 1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine

1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine (PubChem CID 163218528) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine
PubChem CID163218528
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine
SMILESFc1ccc(C2(NC[C@H]3CCCN3)CCC2)cc1C1CC1
InChIInChI=1S/C18H25FN2/c19-17-7-6-14(11-16(17)13-4-5-13)18(8-2-9-18)21-12-15-3-1-10-20-15/h6-7,11,13,15,20-21H,1-5,8-10,12H2/t15-/m1/s1
InChIKeyMWULTNLHUXOKKG-OAHLLOKOSA-N
XLogP3.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine (CID 163218528) is 1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine is Fc1ccc(C2(NC[C@H]3CCCN3)CCC2)cc1C1CC1.
What is the InChIKey of 1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine?
The InChIKey is MWULTNLHUXOKKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25FN2/c19-17-7-6-14(11-16(17)13-4-5-13)18(8-2-9-18)21-12-15-3-1-10-20-15/h6-7,11,13,15,20-21H,1-5,8-10,12H2/t15-/m1/s1.
What are the key properties of 1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine?
1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine has a molecular weight of 288.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-4-fluorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 163218528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).