chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine

C24H30ClN2O+ — CID 167513378

IUPACchloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine
SMILESCC.CCl.COc1ccc2c(ccc3c4cc(N(C)C)ccc4c[n+](C)c23)c1
InChIInChI=1S/C21H21N2O.C2H6.CH3Cl/c1-22(2)16-7-5-15-13-23(3)21-18-10-8-17(24-4)11-14(18)6-9-19(21)20(15)12-16;2*1-2/h5-13H,1-4H3;1-2H3;1H3/q+1;;
InChIKeyMKGCOVKRFPSXIA-UHFFFAOYSA-N
MW397.97 g/mol
LogP5.93
Rot. Bonds2

About chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine

chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine (PubChem CID 167513378) has the molecular formula C24H30ClN2O+ and a molecular weight of 397.97 g/mol. Its IUPAC name is chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine.

Molecular Properties

Compound Namechloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine
PubChem CID167513378
Molecular FormulaC24H30ClN2O+
Molecular Weight397.97 g/mol
Exact Mass397.20
IUPAC Namechloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine
SMILESCC.CCl.COc1ccc2c(ccc3c4cc(N(C)C)ccc4c[n+](C)c23)c1
InChIInChI=1S/C21H21N2O.C2H6.CH3Cl/c1-22(2)16-7-5-15-13-23(3)21-18-10-8-17(24-4)11-14(18)6-9-19(21)20(15)12-16;2*1-2/h5-13H,1-4H3;1-2H3;1H3/q+1;;
InChIKeyMKGCOVKRFPSXIA-UHFFFAOYSA-N
XLogP5.93
TPSA16.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.97
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium;iodide;hydrate
CID 21155216
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
4-[2-(6-methoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 74830862
2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
CID 4501
2-fluoro-8-methoxy-5-methylphenanthridin-5-ium chloride
CID 90643944
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
CID 110455032
1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
N,N-dimethyl-4-(2,3,7,8-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium-1-yl)aniline
CID 46846784
6-methoxy-1-(4-methoxyphenyl)-2-methylisoquinolin-2-ium chloride
CID 21418188

Frequently Asked Questions

What is the IUPAC name of chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine?
The IUPAC name of chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine (CID 167513378) is chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine.
What is the SMILES notation for chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine?
The canonical SMILES for chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine is CC.CCl.COc1ccc2c(ccc3c4cc(N(C)C)ccc4c[n+](C)c23)c1.
What is the InChIKey of chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine?
The InChIKey is MKGCOVKRFPSXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2O.C2H6.CH3Cl/c1-22(2)16-7-5-15-13-23(3)21-18-10-8-17(24-4)11-14(18)6-9-19(21)20(15)12-16;2*1-2/h5-13H,1-4H3;1-2H3;1H3/q+1;;.
What are the key properties of chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine?
chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine has a molecular weight of 397.97 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;ethane;2-methoxy-N,N,5-trimethylbenzo[c]phenanthridin-5-ium-9-amine is sourced from PubChem (CID 167513378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).