3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline

C17H19FN2 — CID 43762165

IUPAC3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESFc1cccc(NCc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C17H19FN2/c18-15-4-3-5-16(12-15)19-13-14-6-8-17(9-7-14)20-10-1-2-11-20/h3-9,12,19H,1-2,10-11,13H2
InChIKeyLOBRNEJOEIKZLM-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.04
Rot. Bonds4

About 3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline

3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline (PubChem CID 43762165) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
PubChem CID43762165
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESFc1cccc(NCc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C17H19FN2/c18-15-4-3-5-16(12-15)19-13-14-6-8-17(9-7-14)20-10-1-2-11-20/h3-9,12,19H,1-2,10-11,13H2
InChIKeyLOBRNEJOEIKZLM-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_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
4-[(3-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 60942190
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
2-chloro-4-[(4-pyrrolidin-1-ylphenyl)methylamino]phenol
CID 107678054
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
5-chloro-2-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43775985
3-[[4-[4-[4-[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]butyl]phenyl]methylamino]phenol bromide
CID 72696083
N-[[4-(azetidin-1-yl)phenyl]methyl]-3-(1H-1,2,4-triazol-5-yl)aniline
CID 167890883
3-bromo-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 107582113
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943060

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
The IUPAC name of 3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline (CID 43762165) is 3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
The canonical SMILES for 3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline is Fc1cccc(NCc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
The InChIKey is LOBRNEJOEIKZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-15-4-3-5-16(12-15)19-13-14-6-8-17(9-7-14)20-10-1-2-11-20/h3-9,12,19H,1-2,10-11,13H2.
What are the key properties of 3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline 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 3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 43762165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).