3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline

C17H19FN2 — CID 63330761

IUPAC3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline
SMILESNc1cccc(F)c1CN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H19FN2/c18-16-7-4-8-17(19)15(16)12-20-10-9-14(11-20)13-5-2-1-3-6-13/h1-8,14H,9-12,19H2
InChIKeyRHIDWLHJTADHIA-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.40
Rot. Bonds3

About 3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline

3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline (PubChem CID 63330761) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline
PubChem CID63330761
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline
SMILESNc1cccc(F)c1CN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H19FN2/c18-16-7-4-8-17(19)15(16)12-20-10-9-14(11-20)13-5-2-1-3-6-13/h1-8,14H,9-12,19H2
InChIKeyRHIDWLHJTADHIA-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
CID 63331097
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
CID 63330879
3-fluoro-2-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 63330878
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline
CID 63971877
[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 107878368
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
3-fluoro-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]aniline
CID 63603313
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
[5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62412837
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 63458175

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline?
The IUPAC name of 3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline (CID 63330761) is 3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline is Nc1cccc(F)c1CN1CCC(c2ccccc2)C1.
What is the InChIKey of 3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline?
The InChIKey is RHIDWLHJTADHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-16-7-4-8-17(19)15(16)12-20-10-9-14(11-20)13-5-2-1-3-6-13/h1-8,14H,9-12,19H2.
What are the key properties of 3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline?
3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline has a molecular weight of 270.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline is sourced from PubChem (CID 63330761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).