N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine

C27H29FN2O — CID 58304017

IUPACN-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine
SMILESCCn1cc(CCNCCc2ccccc2)c2c(OCc3ccccc3)cc(F)cc21
InChIInChI=1S/C27H29FN2O/c1-2-30-19-23(14-16-29-15-13-21-9-5-3-6-10-21)27-25(30)17-24(28)18-26(27)31-20-22-11-7-4-8-12-22/h3-12,17-19,29H,2,13-16,20H2,1H3
InChIKeyQFDOYRVSNKHNHU-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.75
Rot. Bonds10

About N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine

N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine (PubChem CID 58304017) has the molecular formula C27H29FN2O and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine
PubChem CID58304017
Molecular FormulaC27H29FN2O
Molecular Weight416.54 g/mol
Exact Mass416.23
IUPAC NameN-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine
SMILESCCn1cc(CCNCCc2ccccc2)c2c(OCc3ccccc3)cc(F)cc21
InChIInChI=1S/C27H29FN2O/c1-2-30-19-23(14-16-29-15-13-21-9-5-3-6-10-21)27-25(30)17-24(28)18-26(27)31-20-22-11-7-4-8-12-22/h3-12,17-19,29H,2,13-16,20H2,1H3
InChIKeyQFDOYRVSNKHNHU-UHFFFAOYSA-N
XLogP5.75
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 58303902
methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate
CID 58303910
3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol
CID 50995818
2-[4-[(4-chlorophenyl)methoxy]-6-fluoro-1-methylindol-3-yl]-N-methylethanamine
CID 50997395
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-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715731
1-benzyl-6-fluoro-4-phenylmethoxyindole
CID 141202922
2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane
CID 158030135
2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
CID 154159939
2-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175570
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole
CID 156879217

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine?
The IUPAC name of N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine (CID 58304017) is N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine.
What is the SMILES notation for N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine?
The canonical SMILES for N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine is CCn1cc(CCNCCc2ccccc2)c2c(OCc3ccccc3)cc(F)cc21.
What is the InChIKey of N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine?
The InChIKey is QFDOYRVSNKHNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O/c1-2-30-19-23(14-16-29-15-13-21-9-5-3-6-10-21)27-25(30)17-24(28)18-26(27)31-20-22-11-7-4-8-12-22/h3-12,17-19,29H,2,13-16,20H2,1H3.
What are the key properties of N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine?
N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine has a molecular weight of 416.54 g/mol, XLogP of 5.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 58304017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).