N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine

C18H28N2O — CID 123587911

IUPACN,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
SMILESCC(C)CC(C)Oc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C18H28N2O/c1-13(2)10-14(3)21-16-6-7-18-17(11-16)15(12-19-18)8-9-20(4)5/h6-7,11-14,19H,8-10H2,1-5H3
InChIKeyQKRZRZGIIJGFRW-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.09
Rot. Bonds7

About N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine (PubChem CID 123587911) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
PubChem CID123587911
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
SMILESCC(C)CC(C)Oc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C18H28N2O/c1-13(2)10-14(3)21-16-6-7-18-17(11-16)15(12-19-18)8-9-20(4)5/h6-7,11-14,19H,8-10H2,1-5H3
InChIKeyQKRZRZGIIJGFRW-UHFFFAOYSA-N
XLogP4.09
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
CID 177026311
2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
CID 19042892
[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate
CID 169222529
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 74405227
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
4-[[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 169222132
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrate;hydrochloride
CID 71311787
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine (CID 123587911) is N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine is CC(C)CC(C)Oc1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine?
The InChIKey is QKRZRZGIIJGFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)10-14(3)21-16-6-7-18-17(11-16)15(12-19-18)8-9-20(4)5/h6-7,11-14,19H,8-10H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 123587911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).