2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine

C14H19FN2O — CID 90836663

IUPAC2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCOCc1ccc(F)c2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C14H19FN2O/c1-17(2)7-6-10-8-16-14-12(15)5-4-11(9-18-3)13(10)14/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeySYAIVBLVROKWRR-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.56
Rot. Bonds5

About 2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine

2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine (PubChem CID 90836663) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine
PubChem CID90836663
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCOCc1ccc(F)c2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C14H19FN2O/c1-17(2)7-6-10-8-16-14-12(15)5-4-11(9-18-3)13(10)14/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeySYAIVBLVROKWRR-UHFFFAOYSA-N
XLogP2.56
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine (CID 90836663) is 2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine is COCc1ccc(F)c2[nH]cc(CCN(C)C)c12.
What is the InChIKey of 2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is SYAIVBLVROKWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-17(2)7-6-10-8-16-14-12(15)5-4-11(9-18-3)13(10)14/h4-5,8,16H,6-7,9H2,1-3H3.
What are the key properties of 2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 250.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 90836663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).