2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid

C18H23ClN2O5 — CID 23373096

IUPAC2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
SMILESCN(C)CCc1c[nH]c2ccc(OCC3CC3)c(Cl)c12.O=C(O)C(=O)O
InChIInChI=1S/C16H21ClN2O.C2H2O4/c1-19(2)8-7-12-9-18-13-5-6-14(16(17)15(12)13)20-10-11-3-4-11;3-1(4)2(5)6/h5-6,9,11,18H,3-4,7-8,10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyHAQOIGZBPSZKRW-UHFFFAOYSA-N
MW382.84 g/mol
LogP2.87
Rot. Bonds6

About 2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid

2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid (PubChem CID 23373096) has the molecular formula C18H23ClN2O5 and a molecular weight of 382.84 g/mol. Its IUPAC name is 2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid.

Molecular Properties

Compound Name2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
PubChem CID23373096
Molecular FormulaC18H23ClN2O5
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC Name2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
SMILESCN(C)CCc1c[nH]c2ccc(OCC3CC3)c(Cl)c12.O=C(O)C(=O)O
InChIInChI=1S/C16H21ClN2O.C2H2O4/c1-19(2)8-7-12-9-18-13-5-6-14(16(17)15(12)13)20-10-11-3-4-11;3-1(4)2(5)6/h5-6,9,11,18H,3-4,7-8,10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyHAQOIGZBPSZKRW-UHFFFAOYSA-N
XLogP2.87
TPSA102.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-Chloromelatonin
CID 1858
N-((2R)-2-(6-Chloro-5-methoxy-1H-indol-3-yl)propyl)acetamide
CID 219018
5-Acetoxy-N,N-dimethyltryptamine
CID 15480709
5-Methoxy DMT oxalate
CID 9944443
5-Acetoxy-N,N-dimethyltryptamine, dioxalate
CID 90674869
{4-[(3-isopropyl-1H-indol-5-yl)oxy]-3,5-dimethyl-phenoxy}acetic acid
CID 9903190
N-[3-Chloro-4-(3-isopropyl-1H-indol-5-yloxy)-5-methyl-phenyl]-malonamic acid ethyl ester
CID 10224506
Propionic acid 3-(2-dimethylamino-ethyl)-1H-indol-5-yl ester
CID 44338900
Isobutyric acid 3-(2-dimethylamino-ethyl)-1H-indol-5-yl ester
CID 44339072
N-[3,5-Dichloro-4-(1H-indol-5-yloxy)-phenyl]-oxalamic acid ethyl ester
CID 44391396
[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] acetate
CID 14973211
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 25162939

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid?
The IUPAC name of 2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid (CID 23373096) is 2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid.
What is the SMILES notation for 2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid?
The canonical SMILES for 2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid is CN(C)CCc1c[nH]c2ccc(OCC3CC3)c(Cl)c12.O=C(O)C(=O)O.
What is the InChIKey of 2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid?
The InChIKey is HAQOIGZBPSZKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O.C2H2O4/c1-19(2)8-7-12-9-18-13-5-6-14(16(17)15(12)13)20-10-11-3-4-11;3-1(4)2(5)6/h5-6,9,11,18H,3-4,7-8,10H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid?
2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid has a molecular weight of 382.84 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(cyclopropylmethoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid is sourced from PubChem (CID 23373096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).