2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine

C20H23FN2 — CID 124804470

IUPAC2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
SMILESCCCn1cc(CNCCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H23FN2/c1-2-13-23-15-17(19-5-3-4-6-20(19)23)14-22-12-11-16-7-9-18(21)10-8-16/h3-10,15,22H,2,11-14H2,1H3
InChIKeyFFHSYMYLUYRDBW-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.52
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine

2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine (PubChem CID 124804470) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
PubChem CID124804470
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
SMILESCCCn1cc(CNCCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H23FN2/c1-2-13-23-15-17(19-5-3-4-6-20(19)23)14-22-12-11-16-7-9-18(21)10-8-16/h3-10,15,22H,2,11-14H2,1H3
InChIKeyFFHSYMYLUYRDBW-UHFFFAOYSA-N
XLogP4.52
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
CID 66408210
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
1-pentyl-3-[(2-phenylethylamino)methyl]quinolin-4-one;hydrochloride
CID 23634785
N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine
CID 66410177
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
1-(furan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 94074131
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine (CID 124804470) is 2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine is CCCn1cc(CNCCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine?
The InChIKey is FFHSYMYLUYRDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2/c1-2-13-23-15-17(19-5-3-4-6-20(19)23)14-22-12-11-16-7-9-18(21)10-8-16/h3-10,15,22H,2,11-14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine has a molecular weight of 310.42 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine is sourced from PubChem (CID 124804470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).