N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine

C20H23FN2O — CID 45497560

IUPACN-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCCOc1ccc(CNCCc2c(C)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C20H23FN2O/c1-3-24-17-7-4-15(5-8-17)13-22-11-10-18-14(2)23-20-9-6-16(21)12-19(18)20/h4-9,12,22-23H,3,10-11,13H2,1-2H3
InChIKeySKMSEOMHFKFSRF-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.35
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine

N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 45497560) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID45497560
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCCOc1ccc(CNCCc2c(C)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C20H23FN2O/c1-3-24-17-7-4-15(5-8-17)13-22-11-10-18-14(2)23-20-9-6-16(21)12-19(18)20/h4-9,12,22-23H,3,10-11,13H2,1-2H3
InChIKeySKMSEOMHFKFSRF-UHFFFAOYSA-N
XLogP4.35
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.35
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

N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 45497570
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 45497558
N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 98033031
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82496402
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
CID 3988513
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
N-[(2,4-difluorophenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 90485315
4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3964819
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113085965
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 113085879

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine (CID 45497560) is N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine is CCOc1ccc(CNCCc2c(C)[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is SKMSEOMHFKFSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-3-24-17-7-4-15(5-8-17)13-22-11-10-18-14(2)23-20-9-6-16(21)12-19(18)20/h4-9,12,22-23H,3,10-11,13H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 326.42 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 45497560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).