N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine

C21H25FN2O3 — CID 58303903

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine
SMILESCOc1ccc(CNCCc2cn(C)c3ccc(F)c(OC)c23)cc1OC
InChIInChI=1S/C21H25FN2O3/c1-24-13-15(20-17(24)7-6-16(22)21(20)27-4)9-10-23-12-14-5-8-18(25-2)19(11-14)26-3/h5-8,11,13,23H,9-10,12H2,1-4H3
InChIKeyHVYSKHDQVPMEKF-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.68
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine

N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine (PubChem CID 58303903) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine
PubChem CID58303903
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine
SMILESCOc1ccc(CNCCc2cn(C)c3ccc(F)c(OC)c23)cc1OC
InChIInChI=1S/C21H25FN2O3/c1-24-13-15(20-17(24)7-6-16(22)21(20)27-4)9-10-23-12-14-5-8-18(25-2)19(11-14)26-3/h5-8,11,13,23H,9-10,12H2,1-4H3
InChIKeyHVYSKHDQVPMEKF-UHFFFAOYSA-N
XLogP3.68
TPSA44.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931
N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 66927107
1-(3,4-dimethoxyphenyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113161
2-[4-[[2-(1,6-dimethylindol-3-yl)ethylamino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 154863719
2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
CID 50997397
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 4717465
5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole
CID 58303868
2-(4-chlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208437
2-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]ethanamine;hydrochloride
CID 17290561
N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol
CID 162023675
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4722411
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine (CID 58303903) is N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine is COc1ccc(CNCCc2cn(C)c3ccc(F)c(OC)c23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine?
The InChIKey is HVYSKHDQVPMEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-24-13-15(20-17(24)7-6-16(22)21(20)27-4)9-10-23-12-14-5-8-18(25-2)19(11-14)26-3/h5-8,11,13,23H,9-10,12H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine?
N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine has a molecular weight of 372.44 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine is sourced from PubChem (CID 58303903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).