2-chloro-10-(4-methylheptyl)phenothiazine

C20H24ClNS — CID 155242935

IUPAC2-chloro-10-(4-methylheptyl)phenothiazine
SMILESCCCC(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C20H24ClNS/c1-3-7-15(2)8-6-13-22-17-9-4-5-10-19(17)23-20-12-11-16(21)14-18(20)22/h4-5,9-12,14-15H,3,6-8,13H2,1-2H3
InChIKeyLZQPUCWEMHXJIT-UHFFFAOYSA-N
MW345.94 g/mol
LogP7.16
Rot. Bonds6

About 2-chloro-10-(4-methylheptyl)phenothiazine

2-chloro-10-(4-methylheptyl)phenothiazine (PubChem CID 155242935) has the molecular formula C20H24ClNS and a molecular weight of 345.94 g/mol. Its IUPAC name is 2-chloro-10-(4-methylheptyl)phenothiazine.

Molecular Properties

Compound Name2-chloro-10-(4-methylheptyl)phenothiazine
PubChem CID155242935
Molecular FormulaC20H24ClNS
Molecular Weight345.94 g/mol
Exact Mass345.13
IUPAC Name2-chloro-10-(4-methylheptyl)phenothiazine
SMILESCCCC(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C20H24ClNS/c1-3-7-15(2)8-6-13-22-17-9-4-5-10-19(17)23-20-12-11-16(21)14-18(20)22/h4-5,9-12,14-15H,3,6-8,13H2,1-2H3
InChIKeyLZQPUCWEMHXJIT-UHFFFAOYSA-N
XLogP7.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.94
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenothiazin-10-yl)-N,N-dimethylheptan-4-amine
CID 19029744
1-(2-chlorophenothiazin-10-yl)heptan-4-yl-dimethylazanium bromide
CID 19029743
3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium
CID 4109407
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(3-methylbutyl)azanium bromide
CID 155234289
3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
10-butylphenothiazine;propane
CID 177020956
3-(2-chlorophenothiazin-10-yl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)propan-1-amine;hydrochloride
CID 71314834
2-chloro-10-[3-(4-methylpiperazin-1-ium-1-yl)propyl]phenothiazine
CID 25203624
2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine
CID 91189006
10-butylphenothiazine;hydrate;tetrahydroiodide
CID 173485866
N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine
CID 143961192

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-(4-methylheptyl)phenothiazine?
The IUPAC name of 2-chloro-10-(4-methylheptyl)phenothiazine (CID 155242935) is 2-chloro-10-(4-methylheptyl)phenothiazine.
What is the SMILES notation for 2-chloro-10-(4-methylheptyl)phenothiazine?
The canonical SMILES for 2-chloro-10-(4-methylheptyl)phenothiazine is CCCC(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 2-chloro-10-(4-methylheptyl)phenothiazine?
The InChIKey is LZQPUCWEMHXJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNS/c1-3-7-15(2)8-6-13-22-17-9-4-5-10-19(17)23-20-12-11-16(21)14-18(20)22/h4-5,9-12,14-15H,3,6-8,13H2,1-2H3.
What are the key properties of 2-chloro-10-(4-methylheptyl)phenothiazine?
2-chloro-10-(4-methylheptyl)phenothiazine has a molecular weight of 345.94 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-(4-methylheptyl)phenothiazine is sourced from PubChem (CID 155242935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).