3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine

C19H19ClN2S — CID 163912126

IUPAC3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
SMILESC=CN(C=C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h3-6,8-11,14H,1-2,7,12-13H2
InChIKeyQTACVHNDFSZMDQ-UHFFFAOYSA-N
MW342.90 g/mol
LogP5.92
Rot. Bonds6

About 3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine

3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine (PubChem CID 163912126) has the molecular formula C19H19ClN2S and a molecular weight of 342.90 g/mol. Its IUPAC name is 3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
PubChem CID163912126
Molecular FormulaC19H19ClN2S
Molecular Weight342.90 g/mol
Exact Mass342.10
IUPAC Name3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
SMILESC=CN(C=C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h3-6,8-11,14H,1-2,7,12-13H2
InChIKeyQTACVHNDFSZMDQ-UHFFFAOYSA-N
XLogP5.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.90
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 110174342
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
3-(2-chlorophenothiazin-10-yl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)propan-1-amine;hydrochloride
CID 71314834
3-(2-chlorophenothiazin-10-yl)-N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 58600270
3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium
CID 4109407
2-chloro-10-(4-methylheptyl)phenothiazine
CID 155242935
N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine
CID 158500494
1-(2-chlorophenothiazin-10-yl)-N,N-dimethylheptan-4-amine
CID 19029744
2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride
CID 178190515
3-(3-chlorophenothiazin-10-yl)propan-1-ol
CID 163458253
2-chloro-10-[3-(4-phenylpiperazin-1-yl)propyl]phenothiazine
CID 135251831
2-chloro-10-[3-(4-methylpiperazin-1-ium-1-yl)propyl]phenothiazine
CID 25203624

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine?
The IUPAC name of 3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine (CID 163912126) is 3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine?
The canonical SMILES for 3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine is C=CN(C=C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine?
The InChIKey is QTACVHNDFSZMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h3-6,8-11,14H,1-2,7,12-13H2.
What are the key properties of 3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine?
3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine has a molecular weight of 342.90 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine is sourced from PubChem (CID 163912126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).