N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine

C17H25ClN2O — CID 103035007

IUPACN-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(CCC(C)(C)OC)c2cc(Cl)ccc12
InChIInChI=1S/C17H25ClN2O/c1-5-19-11-13-12-20(9-8-17(2,3)21-4)16-10-14(18)6-7-15(13)16/h6-7,10,12,19H,5,8-9,11H2,1-4H3
InChIKeyMCEMBJAKCNOQPH-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.22
Rot. Bonds7

About N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine

N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine (PubChem CID 103035007) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine
PubChem CID103035007
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(CCC(C)(C)OC)c2cc(Cl)ccc12
InChIInChI=1S/C17H25ClN2O/c1-5-19-11-13-12-20(9-8-17(2,3)21-4)16-10-14(18)6-7-15(13)16/h6-7,10,12,19H,5,8-9,11H2,1-4H3
InChIKeyMCEMBJAKCNOQPH-UHFFFAOYSA-N
XLogP4.22
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine
CID 82927960
3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 82850093
N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
CID 103035023
1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine
CID 103411335
3-[6-chloro-3-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 82850224
N-[[5-chloro-3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032941
N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
CID 117178828
1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine
CID 22139039
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094
[6-chloro-1-(2-ethylsulfanylethyl)indol-3-yl]methanamine
CID 113473972
3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
CID 83948692
methyl 6-chloro-1-[2-(dimethylamino)ethyl]indole-3-carboxylate
CID 68504879

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine (CID 103035007) is N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine is CCNCc1cn(CCC(C)(C)OC)c2cc(Cl)ccc12.
What is the InChIKey of N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine?
The InChIKey is MCEMBJAKCNOQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-5-19-11-13-12-20(9-8-17(2,3)21-4)16-10-14(18)6-7-15(13)16/h6-7,10,12,19H,5,8-9,11H2,1-4H3.
What are the key properties of N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine?
N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine has a molecular weight of 308.85 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine is sourced from PubChem (CID 103035007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).