N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine

C35H41F3N6S2 — CID 161377145

IUPACN,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine
SMILESCNCc1cc(C)c2c(c1)Sc1cc(N(C)C)cc(C)c1N2.CNCc1cc2c(c(C(F)(F)F)c1)Nc1ccc(N(C)C)cc1S2
InChIInChI=1S/C18H23N3S.C17H18F3N3S/c1-11-6-13(10-19-3)8-15-17(11)20-18-12(2)7-14(21(4)5)9-16(18)22-15;1-21-9-10-6-12(17(18,19)20)16-15(7-10)24-14-8-11(23(2)3)4-5-13(14)22-16/h6-9,19-20H,10H2,1-5H3;4-8,21-22H,9H2,1-3H3
InChIKeyVRFLIYJBZGJOJZ-UHFFFAOYSA-N
MW666.88 g/mol
LogP9.00
Rot. Bonds6

About N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine

N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine (PubChem CID 161377145) has the molecular formula C35H41F3N6S2 and a molecular weight of 666.88 g/mol. Its IUPAC name is N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine
PubChem CID161377145
Molecular FormulaC35H41F3N6S2
Molecular Weight666.88 g/mol
Exact Mass666.28
IUPAC NameN,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine
SMILESCNCc1cc(C)c2c(c1)Sc1cc(N(C)C)cc(C)c1N2.CNCc1cc2c(c(C(F)(F)F)c1)Nc1ccc(N(C)C)cc1S2
InChIInChI=1S/C18H23N3S.C17H18F3N3S/c1-11-6-13(10-19-3)8-15-17(11)20-18-12(2)7-14(21(4)5)9-16(18)22-15;1-21-9-10-6-12(17(18,19)20)16-15(7-10)24-14-8-11(23(2)3)4-5-13(14)22-16/h6-9,19-20H,10H2,1-5H3;4-8,21-22H,9H2,1-3H3
InChIKeyVRFLIYJBZGJOJZ-UHFFFAOYSA-N
XLogP9.00
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.88
LogP ≤ 59.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-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

3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine
CID 66562549
3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydroiodide
CID 16747676
1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone
CID 154159109
N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine
CID 170996970
3-N,3-N,7-N,7-N-tetrakis(2-methoxyethyl)-1,9-dimethyl-10H-phenothiazine-3,7-diamine
CID 90338788
1-[4-(cyclopropylmethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 106929309
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
3-N,3-N,7-N,7-N-tetrabutyl-10H-phenothiazine-3,7-diamine
CID 21441331
1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 65369124
N,N-diethyl-10H-phenothiazin-3-amine
CID 68755312
4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline
CID 84750842

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine?
The IUPAC name of N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine (CID 161377145) is N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine.
What is the SMILES notation for N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine?
The canonical SMILES for N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine is CNCc1cc(C)c2c(c1)Sc1cc(N(C)C)cc(C)c1N2.CNCc1cc2c(c(C(F)(F)F)c1)Nc1ccc(N(C)C)cc1S2.
What is the InChIKey of N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine?
The InChIKey is VRFLIYJBZGJOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S.C17H18F3N3S/c1-11-6-13(10-19-3)8-15-17(11)20-18-12(2)7-14(21(4)5)9-16(18)22-15;1-21-9-10-6-12(17(18,19)20)16-15(7-10)24-14-8-11(23(2)3)4-5-13(14)22-16/h6-9,19-20H,10H2,1-5H3;4-8,21-22H,9H2,1-3H3.
What are the key properties of N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine?
N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine has a molecular weight of 666.88 g/mol, XLogP of 9.00, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine is sourced from PubChem (CID 161377145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).