N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine

C24H21Cl2FN2 — CID 124783457

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C24H21Cl2FN2/c25-21-8-5-9-22(26)20(21)16-29-15-18(19-7-2-4-11-24(19)29)14-28-13-12-17-6-1-3-10-23(17)27/h1-11,15,28H,12-14,16H2
InChIKeyPOKBTFNXNVICHD-UHFFFAOYSA-N
MW427.35 g/mol
LogP6.47
Rot. Bonds7

About N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine

N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 124783457) has the molecular formula C24H21Cl2FN2 and a molecular weight of 427.35 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID124783457
Molecular FormulaC24H21Cl2FN2
Molecular Weight427.35 g/mol
Exact Mass426.11
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C24H21Cl2FN2/c25-21-8-5-9-22(26)20(21)16-29-15-18(19-7-2-4-11-24(19)29)14-28-13-12-17-6-1-3-10-23(17)27/h1-11,15,28H,12-14,16H2
InChIKeyPOKBTFNXNVICHD-UHFFFAOYSA-N
XLogP6.47
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805104
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601
(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826510
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
CID 124895932
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 124820056
(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826737
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207496
(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124823338
3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine
CID 170868083
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine
CID 124824299

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine (CID 124783457) is N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is POKBTFNXNVICHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2FN2/c25-21-8-5-9-22(26)20(21)16-29-15-18(19-7-2-4-11-24(19)29)14-28-13-12-17-6-1-3-10-23(17)27/h1-11,15,28H,12-14,16H2.
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine?
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 427.35 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 124783457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).