N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline

C17H19FN2 — CID 755966

IUPACN-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline
SMILESFc1ccc(CNc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C17H19FN2/c18-15-5-3-14(4-6-15)13-19-16-7-9-17(10-8-16)20-11-1-2-12-20/h3-10,19H,1-2,11-13H2
InChIKeyCPQLRYLQINEVQM-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.04
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline

N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline (PubChem CID 755966) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline
PubChem CID755966
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline
SMILESFc1ccc(CNc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C17H19FN2/c18-15-5-3-14(4-6-15)13-19-16-7-9-17(10-8-16)20-11-1-2-12-20/h3-10,19H,1-2,11-13H2
InChIKeyCPQLRYLQINEVQM-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline (CID 755966) is N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline is Fc1ccc(CNc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline?
The InChIKey is CPQLRYLQINEVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-15-5-3-14(4-6-15)13-19-16-7-9-17(10-8-16)20-11-1-2-12-20/h3-10,19H,1-2,11-13H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline?
N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline has a molecular weight of 270.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 755966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).