N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine

C23H28ClN3 — CID 51628483

IUPACN-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
SMILESCCN1CCC[C@@H]1CNCc1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C23H28ClN3/c1-2-26-13-7-9-20(26)15-25-14-19-17-27(23-12-6-4-10-21(19)23)16-18-8-3-5-11-22(18)24/h3-6,8,10-12,17,20,25H,2,7,9,13-16H2,1H3/t20-/m1/s1
InChIKeyCYJAUTFCEUSTEY-HXUWFJFHSA-N
MW381.95 g/mol
LogP4.92
Rot. Bonds7

About N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine

N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine (PubChem CID 51628483) has the molecular formula C23H28ClN3 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
PubChem CID51628483
Molecular FormulaC23H28ClN3
Molecular Weight381.95 g/mol
Exact Mass381.20
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
SMILESCCN1CCC[C@@H]1CNCc1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C23H28ClN3/c1-2-26-13-7-9-20(26)15-25-14-19-17-27(23-12-6-4-10-21(19)23)16-18-8-3-5-11-22(18)24/h3-6,8,10-12,17,20,25H,2,7,9,13-16H2,1H3/t20-/m1/s1
InChIKeyCYJAUTFCEUSTEY-HXUWFJFHSA-N
XLogP4.92
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628493
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine
CID 124821762
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 124830690
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 35698346
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17213720
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51627884
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207496
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850213
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215302
2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylamino]acetic acid
CID 66528039

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine (CID 51628483) is N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine is CCN1CCC[C@@H]1CNCc1cn(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
The InChIKey is CYJAUTFCEUSTEY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28ClN3/c1-2-26-13-7-9-20(26)15-25-14-19-17-27(23-12-6-4-10-21(19)23)16-18-8-3-5-11-22(18)24/h3-6,8,10-12,17,20,25H,2,7,9,13-16H2,1H3/t20-/m1/s1.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine has a molecular weight of 381.95 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 51628483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).