N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine

C21H24Cl2N2 — CID 124824299

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C21H24Cl2N2/c1-4-21(2,3)24-12-15-13-25(20-11-6-5-8-16(15)20)14-17-18(22)9-7-10-19(17)23/h5-11,13,24H,4,12,14H2,1-3H3
InChIKeyFMQBUMIJOJYQCV-UHFFFAOYSA-N
MW375.34 g/mol
LogP6.27
Rot. Bonds6

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

N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine (PubChem CID 124824299) has the molecular formula C21H24Cl2N2 and a molecular weight of 375.34 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine
PubChem CID124824299
Molecular FormulaC21H24Cl2N2
Molecular Weight375.34 g/mol
Exact Mass374.13
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C21H24Cl2N2/c1-4-21(2,3)24-12-15-13-25(20-11-6-5-8-16(15)20)14-17-18(22)9-7-10-19(17)23/h5-11,13,24H,4,12,14H2,1-3H3
InChIKeyFMQBUMIJOJYQCV-UHFFFAOYSA-N
XLogP6.27
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.34
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826737
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 124820056
(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124823338
N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride
CID 17206538
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783457
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
CID 124895932
2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074110
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780
(3S,5R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-3,5-dimethyladamantan-1-amine
CID 124911801
(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826510
N-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805104

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine (CID 124824299) is N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine?
The InChIKey is FMQBUMIJOJYQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2/c1-4-21(2,3)24-12-15-13-25(20-11-6-5-8-16(15)20)14-17-18(22)9-7-10-19(17)23/h5-11,13,24H,4,12,14H2,1-3H3.
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine?
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine has a molecular weight of 375.34 g/mol, XLogP of 6.27, 6 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-methylbutan-2-amine is sourced from PubChem (CID 124824299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).