[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine

C17H17FN2O — CID 104792943

IUPAC[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
SMILESCOc1cccc(Cn2ccc3c(CN)cccc32)c1F
InChIInChI=1S/C17H17FN2O/c1-21-16-7-3-5-13(17(16)18)11-20-9-8-14-12(10-19)4-2-6-15(14)20/h2-9H,10-11,19H2,1H3
InChIKeyIHSVOVRVWAOPSN-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.30
Rot. Bonds4

About [1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine

[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine (PubChem CID 104792943) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is [1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
PubChem CID104792943
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
SMILESCOc1cccc(Cn2ccc3c(CN)cccc32)c1F
InChIInChI=1S/C17H17FN2O/c1-21-16-7-3-5-13(17(16)18)11-20-9-8-14-12(10-19)4-2-6-15(14)20/h2-9H,10-11,19H2,1H3
InChIKeyIHSVOVRVWAOPSN-UHFFFAOYSA-N
XLogP3.30
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine 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-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole
CID 104794968
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline
CID 107347751
4-bromo-1-[(2-methoxyphenyl)methyl]indole
CID 116626014
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine
CID 82920553
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
CID 102879188
[1-[(3-bromo-2,6-difluorophenyl)methyl]indol-4-yl]methanamine
CID 106265006
1-[(2-fluoro-3-methoxyphenyl)methyl]indole-6-carbonitrile
CID 107917049
2-[(4-methoxyindol-1-yl)methyl]benzamide
CID 83165956

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine?
The IUPAC name of [1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine (CID 104792943) is [1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine?
The canonical SMILES for [1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine is COc1cccc(Cn2ccc3c(CN)cccc32)c1F.
What is the InChIKey of [1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine?
The InChIKey is IHSVOVRVWAOPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-21-16-7-3-5-13(17(16)18)11-20-9-8-14-12(10-19)4-2-6-15(14)20/h2-9H,10-11,19H2,1H3.
What are the key properties of [1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine?
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine has a molecular weight of 284.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine is sourced from PubChem (CID 104792943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).