2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine

C70H100N10O5 — CID 157296124

IUPAC2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/5C14H20N2O/c5*1-4-17-12-5-6-14-13(9-12)11(10-15-14)7-8-16(2)3/h5*5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyBBJCWSQCRQAURL-UHFFFAOYSA-N
MW1161.63 g/mol
LogP13.35
Rot. Bonds25

About 2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine

2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 157296124) has the molecular formula C70H100N10O5 and a molecular weight of 1161.63 g/mol. Its IUPAC name is 2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID157296124
Molecular FormulaC70H100N10O5
Molecular Weight1161.63 g/mol
Exact Mass1160.79
IUPAC Name2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/5C14H20N2O/c5*1-4-17-12-5-6-14-13(9-12)11(10-15-14)7-8-16(2)3/h5*5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyBBJCWSQCRQAURL-UHFFFAOYSA-N
XLogP13.35
TPSA141.30 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.63
LogP ≤ 513.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

5-(Benzyloxy)tryptamine
CID 89576
5-Methoxy-3-(2-(1-pyrrolidinyl)ethyl)-1H-indole
CID 17053
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
N-Acetyl-5-benzyloxytryptamine
CID 563605
5-(Nonyloxy)tryptamine
CID 1797
5-Propoxytryptamine
CID 10751317
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-acetyl}-piperazin-1-yl)-ethanone
CID 9984109
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-[4-(4-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-acetyl}-piperazin-1-yl)-phenyl]-acetamide
CID 10008868
1H-4-indolyl 3-[3-(1H-3-indolyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propyl ether
CID 10222461
2-(5-Octyloxy-1H-indol-3-yl)-ethylamine
CID 10613373
2-(5-{3-[3-(2-Amino-ethyl)-1H-indol-5-yloxymethyl]-benzyloxy}-1H-indol-3-yl)-ethylamine
CID 10647387
2-(5-Heptyloxy-1H-indol-3-yl)-ethylamine
CID 10802304

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine (CID 157296124) is 2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine is CCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1.CCOc1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of 2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is BBJCWSQCRQAURL-UHFFFAOYSA-N. The full InChI is InChI=1S/5C14H20N2O/c5*1-4-17-12-5-6-14-13(9-12)11(10-15-14)7-8-16(2)3/h5*5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of 2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 1161.63 g/mol, XLogP of 13.35, 25 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 157296124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).