5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride

C15H18ClN3O — CID 164929792

IUPAC5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CC(C)c2c1cc(OC)c1ccccc21
InChIInChI=1S/C15H17N3O.ClH/c1-9-8-18(15(16)17)12-7-13(19-2)10-5-3-4-6-11(10)14(9)12;/h3-7,9H,8H2,1-2H3,(H3,16,17);1H
InChIKeyUCRAVARQYUNVCU-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.09
Rot. Bonds1

About 5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride

5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride (PubChem CID 164929792) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride
PubChem CID164929792
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CC(C)c2c1cc(OC)c1ccccc21
InChIInChI=1S/C15H17N3O.ClH/c1-9-8-18(15(16)17)12-7-13(19-2)10-5-3-4-6-11(10)14(9)12;/h3-7,9H,8H2,1-2H3,(H3,16,17);1H
InChIKeyUCRAVARQYUNVCU-UHFFFAOYSA-N
XLogP3.09
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride
CID 155408480
6-chloro-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
CID 155408366
1-methyl-6-methylsulfanyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;2,2,2-trifluoroacetic acid
CID 175720253
6-ethynyl-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;2,2,2-trifluoroacetic acid
CID 167661492
1-methyl-6-methylsulfinyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;2,2,2-trifluoroacetic acid
CID 167617967
tert-butyl 1-(hydroxymethyl)-5-methoxy-1,2-dihydrobenzo[e]indole-3-carboxylate
CID 58260025
(1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol
CID 113305846
1-(6-bromo-1-methyl-1,2-dihydrobenzo[e]indol-3-yl)-2-phenylethanimine
CID 167696149
4-methyl-2,3-dihydroquinoxaline-1-carboximidamide
CID 63776820
7-methoxy-1,3,3a,4,5,6-hexahydrobenzo[de]isoquinoline-2-carboximidamide;hydrochloride
CID 45262670
[(1S)-1-(chloromethyl)-3-[(E)-3-[4-[(E)-3-[(1S)-1-(chloromethyl)-5-methoxy-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-3-methylphenyl]prop-2-enoyl]-1,2-dihydrobenzo[e]indol-5-yl] dihydrogen phosphate
CID 129273479
9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one
CID 115417405

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
The IUPAC name of 5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride (CID 164929792) is 5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride.
What is the SMILES notation for 5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
The canonical SMILES for 5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CC(C)c2c1cc(OC)c1ccccc21.
What is the InChIKey of 5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
The InChIKey is UCRAVARQYUNVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-9-8-18(15(16)17)12-7-13(19-2)10-5-3-4-6-11(10)14(9)12;/h3-7,9H,8H2,1-2H3,(H3,16,17);1H.
What are the key properties of 5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride?
5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;hydrochloride is sourced from PubChem (CID 164929792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).