1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine

C18H19FN2 — CID 60958104

IUPAC1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19FN2/c1-13(10-14-6-8-16(19)9-7-14)20-11-15-12-21-18-5-3-2-4-17(15)18/h2-9,12-13,20-21H,10-11H2,1H3
InChIKeyTZVPACCFXAOYDA-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.03
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine

1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine (PubChem CID 60958104) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
PubChem CID60958104
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19FN2/c1-13(10-14-6-8-16(19)9-7-14)20-11-15-12-21-18-5-3-2-4-17(15)18/h2-9,12-13,20-21H,10-11H2,1H3
InChIKeyTZVPACCFXAOYDA-UHFFFAOYSA-N
XLogP4.03
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine 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

(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine
CID 110176604
(2R)-2-[(4-fluorophenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987410
2-(1H-indol-3-ylmethylamino)propanenitrile
CID 115130152
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
2-(1H-indol-3-ylmethylamino)propanoic acid
CID 62324113
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
3-(2-fluoropropyl)-1H-indole
CID 142409179

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine (CID 60958104) is 1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCc1c[nH]c2ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine?
The InChIKey is TZVPACCFXAOYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-13(10-14-6-8-16(19)9-7-14)20-11-15-12-21-18-5-3-2-4-17(15)18/h2-9,12-13,20-21H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine?
1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine has a molecular weight of 282.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 60958104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).