N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine

C23H27Cl2N3 — CID 51628493

IUPACN-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
SMILESCCN1CCC[C@H]1CNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C23H27Cl2N3/c1-2-27-11-5-6-20(27)14-26-13-18-16-28(23-8-4-3-7-21(18)23)15-17-9-10-19(24)12-22(17)25/h3-4,7-10,12,16,20,26H,2,5-6,11,13-15H2,1H3/t20-/m0/s1
InChIKeyMQJLOWXSCKXKNZ-FQEVSTJZSA-N
MW416.40 g/mol
LogP5.57
Rot. Bonds7

About N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine

N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine (PubChem CID 51628493) has the molecular formula C23H27Cl2N3 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
PubChem CID51628493
Molecular FormulaC23H27Cl2N3
Molecular Weight416.40 g/mol
Exact Mass415.16
IUPAC NameN-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
SMILESCCN1CCC[C@H]1CNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C23H27Cl2N3/c1-2-27-11-5-6-20(27)14-26-13-18-16-28(23-8-4-3-7-21(18)23)15-17-9-10-19(24)12-22(17)25/h3-4,7-10,12,16,20,26H,2,5-6,11,13-15H2,1H3/t20-/m0/s1
InChIKeyMQJLOWXSCKXKNZ-FQEVSTJZSA-N
XLogP5.57
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine 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]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628483
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 124830690
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine
CID 124821762
N-[(4-chloro-2-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 113461461
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115761462
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722
1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
CID 17159719
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208320
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51627904
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17213687
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 66538173

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine (CID 51628493) is N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine is CCN1CCC[C@H]1CNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine?
The InChIKey is MQJLOWXSCKXKNZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27Cl2N3/c1-2-27-11-5-6-20(27)14-26-13-18-16-28(23-8-4-3-7-21(18)23)15-17-9-10-19(24)12-22(17)25/h3-4,7-10,12,16,20,26H,2,5-6,11,13-15H2,1H3/t20-/m0/s1.
What are the key properties of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine?
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine has a molecular weight of 416.40 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 51628493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).