N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine

C25H25FN2O — CID 124825077

IUPACN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C25H25FN2O/c1-29-25-9-5-2-6-20(25)14-15-27-16-21-18-28(24-8-4-3-7-23(21)24)17-19-10-12-22(26)13-11-19/h2-13,18,27H,14-17H2,1H3
InChIKeyRVBPDLNMGZSTJN-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.17
Rot. Bonds8

About N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine

N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine (PubChem CID 124825077) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
PubChem CID124825077
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C25H25FN2O/c1-29-25-9-5-2-6-20(25)14-15-27-16-21-18-28(24-8-4-3-7-23(21)24)17-19-10-12-22(26)13-11-19/h2-13,18,27H,14-17H2,1H3
InChIKeyRVBPDLNMGZSTJN-UHFFFAOYSA-N
XLogP5.17
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207496
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470
2-(3,4-dimethoxyphenyl)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]ethanamine
CID 124822309
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 124820056
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208320
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245785
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
CID 124784130
(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823717
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 124783741

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine (CID 124825077) is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CCNCc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine?
The InChIKey is RVBPDLNMGZSTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O/c1-29-25-9-5-2-6-20(25)14-15-27-16-21-18-28(24-8-4-3-7-23(21)24)17-19-10-12-22(26)13-11-19/h2-13,18,27H,14-17H2,1H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine?
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine has a molecular weight of 388.49 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 124825077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).