N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine

C17H25ClN2 — CID 82927960

IUPACN-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(CC(CC)CC)c2cc(Cl)ccc12
InChIInChI=1S/C17H25ClN2/c1-4-13(5-2)11-20-12-14(10-19-6-3)16-8-7-15(18)9-17(16)20/h7-9,12-13,19H,4-6,10-11H2,1-3H3
InChIKeyYEBJAVDSZNDZRZ-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.84
Rot. Bonds7

About N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine

N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine (PubChem CID 82927960) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine
PubChem CID82927960
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC NameN-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(CC(CC)CC)c2cc(Cl)ccc12
InChIInChI=1S/C17H25ClN2/c1-4-13(5-2)11-20-12-14(10-19-6-3)16-8-7-15(18)9-17(16)20/h7-9,12-13,19H,4-6,10-11H2,1-3H3
InChIKeyYEBJAVDSZNDZRZ-UHFFFAOYSA-N
XLogP4.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[6-chloro-3-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 82850093
3-[6-chloro-3-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 82850224
N-[[6-chloro-1-(3-methoxy-3-methylbutyl)indol-3-yl]methyl]ethanamine
CID 103035007
N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
CID 117178828
1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine
CID 22139039
2-[1-(2-ethylbutyl)indol-3-yl]ethanamine
CID 82925282
N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
CID 82553412
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
CID 17159719
6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole
CID 117178863

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine (CID 82927960) is N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine is CCNCc1cn(CC(CC)CC)c2cc(Cl)ccc12.
What is the InChIKey of N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine?
The InChIKey is YEBJAVDSZNDZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-4-13(5-2)11-20-12-14(10-19-6-3)16-8-7-15(18)9-17(16)20/h7-9,12-13,19H,4-6,10-11H2,1-3H3.
What are the key properties of N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine?
N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine has a molecular weight of 292.85 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-1-(2-ethylbutyl)indol-3-yl]methyl]ethanamine is sourced from PubChem (CID 82927960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).