6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid

C16H20N2O5 — CID 13356525

IUPAC6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid
SMILESCOc1ccc2[nH]cc3c2c1CC(N(C)C)C3.O=C(O)C(=O)O
InChIInChI=1S/C14H18N2O.C2H2O4/c1-16(2)10-6-9-8-15-12-4-5-13(17-3)11(7-10)14(9)12;3-1(4)2(5)6/h4-5,8,10,15H,6-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUFHOGLFVRRZMNQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.36
Rot. Bonds2

About 6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid

6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid (PubChem CID 13356525) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid.

Molecular Properties

Compound Name6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid
PubChem CID13356525
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid
SMILESCOc1ccc2[nH]cc3c2c1CC(N(C)C)C3.O=C(O)C(=O)O
InChIInChI=1S/C14H18N2O.C2H2O4/c1-16(2)10-6-9-8-15-12-4-5-13(17-3)11(7-10)14(9)12;3-1(4)2(5)6/h4-5,8,10,15H,6-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUFHOGLFVRRZMNQ-UHFFFAOYSA-N
XLogP1.36
TPSA102.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.36
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-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 11138151
N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine
CID 15622235
(4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile
CID 92980675
[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
CID 19828707
4-[methyl(propan-2-yl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358087
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
(E)-but-2-enedioic acid;4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-ol
CID 19828708
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
CID 10613080
5,6-dimethoxy-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 12009520
N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide
CID 163192742
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 51092161

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid?
The IUPAC name of 6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid (CID 13356525) is 6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid.
What is the SMILES notation for 6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid?
The canonical SMILES for 6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid is COc1ccc2[nH]cc3c2c1CC(N(C)C)C3.O=C(O)C(=O)O.
What is the InChIKey of 6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid?
The InChIKey is UFHOGLFVRRZMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C2H2O4/c1-16(2)10-6-9-8-15-12-4-5-13(17-3)11(7-10)14(9)12;3-1(4)2(5)6/h4-5,8,10,15H,6-7H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid?
6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid has a molecular weight of 320.35 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid is sourced from PubChem (CID 13356525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).