2-fluoro-3-(indol-1-ylmethyl)aniline

C15H13FN2 — CID 107347629

IUPAC2-fluoro-3-(indol-1-ylmethyl)aniline
SMILESNc1cccc(Cn2ccc3ccccc32)c1F
InChIInChI=1S/C15H13FN2/c16-15-12(5-3-6-13(15)17)10-18-9-8-11-4-1-2-7-14(11)18/h1-9H,10,17H2
InChIKeyLSYKMSFMISPSGO-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.41
Rot. Bonds2

About 2-fluoro-3-(indol-1-ylmethyl)aniline

2-fluoro-3-(indol-1-ylmethyl)aniline (PubChem CID 107347629) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-fluoro-3-(indol-1-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-3-(indol-1-ylmethyl)aniline
PubChem CID107347629
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name2-fluoro-3-(indol-1-ylmethyl)aniline
SMILESNc1cccc(Cn2ccc3ccccc32)c1F
InChIInChI=1S/C15H13FN2/c16-15-12(5-3-6-13(15)17)10-18-9-8-11-4-1-2-7-14(11)18/h1-9H,10,17H2
InChIKeyLSYKMSFMISPSGO-UHFFFAOYSA-N
XLogP3.41
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.41
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

2-(indol-1-ylmethyl)benzene-1,3-diamine
CID 141087878
3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline
CID 107347751
1-[(2,6-difluorophenyl)methyl]indole
CID 22256904
1-[(2,3,6-trifluorophenyl)methyl]indole
CID 22256789
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
1-[(2-fluorophenyl)methyl]indol-6-amine
CID 43308904
4-(indol-1-ylmethyl)-3-methyl-1H-indole
CID 143531682
3-fluoro-4-(indol-1-ylmethyl)benzamide
CID 63810466
2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide
CID 115465575
1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 107347736
1-(2-fluoroethyl)indole
CID 80694500
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(indol-1-ylmethyl)aniline?
The IUPAC name of 2-fluoro-3-(indol-1-ylmethyl)aniline (CID 107347629) is 2-fluoro-3-(indol-1-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-3-(indol-1-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-3-(indol-1-ylmethyl)aniline is Nc1cccc(Cn2ccc3ccccc32)c1F.
What is the InChIKey of 2-fluoro-3-(indol-1-ylmethyl)aniline?
The InChIKey is LSYKMSFMISPSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c16-15-12(5-3-6-13(15)17)10-18-9-8-11-4-1-2-7-14(11)18/h1-9H,10,17H2.
What are the key properties of 2-fluoro-3-(indol-1-ylmethyl)aniline?
2-fluoro-3-(indol-1-ylmethyl)aniline has a molecular weight of 240.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(indol-1-ylmethyl)aniline is sourced from PubChem (CID 107347629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).