1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine

C18H21FN2 — CID 43085117

IUPAC1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
SMILESFc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H21FN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2
InChIKeyIQOXJBXAAJLNTO-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.19
Rot. Bonds5

About 1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 43085117) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
PubChem CID43085117
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
SMILESFc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H21FN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2
InChIKeyIQOXJBXAAJLNTO-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine (CID 43085117) is 1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine is Fc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is IQOXJBXAAJLNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-17-8-6-15(7-9-17)12-20-18-10-11-21(14-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2.
What are the key properties of 1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 284.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 43085117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).