2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine

C19H23ClN2OS — CID 3064130

IUPAC2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine
SMILESCC(CN1c2ccccc2Sc2ccc(Cl)cc21)OCCN(C)C
InChIInChI=1S/C19H23ClN2OS/c1-14(23-11-10-21(2)3)13-22-16-6-4-5-7-18(16)24-19-9-8-15(20)12-17(19)22/h4-9,12,14H,10-11,13H2,1-3H3
InChIKeyFIGHIONWPGRCQQ-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.91
Rot. Bonds6

About 2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine

2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine (PubChem CID 3064130) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is 2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine
PubChem CID3064130
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine
SMILESCC(CN1c2ccccc2Sc2ccc(Cl)cc21)OCCN(C)C
InChIInChI=1S/C19H23ClN2OS/c1-14(23-11-10-21(2)3)13-22-16-6-4-5-7-18(16)24-19-9-8-15(20)12-17(19)22/h4-9,12,14H,10-11,13H2,1-3H3
InChIKeyFIGHIONWPGRCQQ-UHFFFAOYSA-N
XLogP4.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine
CID 3064128
1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol
CID 4079548
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 15558621
3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;1-[10-[3-(dimethylamino)-2-methylpropyl]phenothiazin-2-yl]ethanone;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 159357848
2-[2-[4-[(2S)-3-(2-chlorophenothiazin-10-yl)-2-methylpropyl]piperazin-1-yl]ethoxy]ethanol
CID 92774175
3-(2-chlorophenothiazin-10-yl)-N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 58600270
3-(2-chlorophenothiazin-10-yl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)propan-1-amine;hydrochloride
CID 71314834
2-chloro-10-(4-methylheptyl)phenothiazine
CID 155242935
1-(2-chlorophenothiazin-10-yl)-N,N-dimethylheptan-4-amine
CID 19029744
azane;10-(2-chloropropyl)phenothiazine
CID 70621156
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine (CID 3064130) is 2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine is CC(CN1c2ccccc2Sc2ccc(Cl)cc21)OCCN(C)C.
What is the InChIKey of 2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine?
The InChIKey is FIGHIONWPGRCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-14(23-11-10-21(2)3)13-22-16-6-4-5-7-18(16)24-19-9-8-15(20)12-17(19)22/h4-9,12,14H,10-11,13H2,1-3H3.
What are the key properties of 2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine?
2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine has a molecular weight of 362.93 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine is sourced from PubChem (CID 3064130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).