2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine

C19H21FN2O — CID 45497558

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNCCc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H21FN2O/c1-13-16(17-11-15(20)7-8-18(17)22-13)9-10-21-12-14-5-3-4-6-19(14)23-2/h3-8,11,21-22H,9-10,12H2,1-2H3
InChIKeyOQXYKZSAIUWVFM-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.96
Rot. Bonds6

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 45497558) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID45497558
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNCCc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H21FN2O/c1-13-16(17-11-15(20)7-8-18(17)22-13)9-10-21-12-14-5-3-4-6-19(14)23-2/h3-8,11,21-22H,9-10,12H2,1-2H3
InChIKeyOQXYKZSAIUWVFM-UHFFFAOYSA-N
XLogP3.96
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 45497559
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
CID 3988513
N-[(2,4-difluorophenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 90485315
N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 45497560
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113085965
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82496402
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-phenylthiourea
CID 43952983
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32607717
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 45497570
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine (CID 45497558) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine is COc1ccccc1CNCCc1c(C)[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is OQXYKZSAIUWVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-13-16(17-11-15(20)7-8-18(17)22-13)9-10-21-12-14-5-3-4-6-19(14)23-2/h3-8,11,21-22H,9-10,12H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 312.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 45497558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).