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

C20H23FN2O2 — CID 3988513

IUPACN-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
SMILESCOc1ccc(F)c(CNCCc2c(C)[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C20H23FN2O2/c1-13-17(18-11-16(25-3)5-7-20(18)23-13)8-9-22-12-14-10-15(24-2)4-6-19(14)21/h4-7,10-11,22-23H,8-9,12H2,1-3H3
InChIKeyRKIVDQBFOBKBMA-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.96
Rot. Bonds7

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

N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 3988513) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID3988513
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
SMILESCOc1ccc(F)c(CNCCc2c(C)[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C20H23FN2O2/c1-13-17(18-11-16(25-3)5-7-20(18)23-13)8-9-22-12-14-10-15(24-2)4-6-19(14)21/h4-7,10-11,22-23H,8-9,12H2,1-3H3
InChIKeyRKIVDQBFOBKBMA-UHFFFAOYSA-N
XLogP3.96
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2,4-difluorophenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 90485315
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 45497570
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 45497558
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 45497559
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
N-(1,3-benzothiazol-2-ylmethyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 126478720
N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 45497560
N'-[(2-fluoro-5-methoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 142265352
1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
CID 12005981

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine (CID 3988513) is N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine is COc1ccc(F)c(CNCCc2c(C)[nH]c3ccc(OC)cc23)c1.
What is the InChIKey of N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is RKIVDQBFOBKBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13-17(18-11-16(25-3)5-7-20(18)23-13)8-9-22-12-14-10-15(24-2)4-6-19(14)21/h4-7,10-11,22-23H,8-9,12H2,1-3H3.
What are the key properties of N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine?
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 342.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 3988513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).