2-(2-chlorophenothiazin-10-yl)ethanamine

C14H13ClN2S — CID 71258304

IUPAC2-(2-chlorophenothiazin-10-yl)ethanamine
SMILESNCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C14H13ClN2S/c15-10-5-6-14-12(9-10)17(8-7-16)11-3-1-2-4-13(11)18-14/h1-6,9H,7-8,16H2
InChIKeyIESJBDDAPAUNNN-UHFFFAOYSA-N
MW276.79 g/mol
LogP3.90
Rot. Bonds2

About 2-(2-chlorophenothiazin-10-yl)ethanamine

2-(2-chlorophenothiazin-10-yl)ethanamine (PubChem CID 71258304) has the molecular formula C14H13ClN2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-(2-chlorophenothiazin-10-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenothiazin-10-yl)ethanamine
PubChem CID71258304
Molecular FormulaC14H13ClN2S
Molecular Weight276.79 g/mol
Exact Mass276.05
IUPAC Name2-(2-chlorophenothiazin-10-yl)ethanamine
SMILESNCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C14H13ClN2S/c15-10-5-6-14-12(9-10)17(8-7-16)11-3-1-2-4-13(11)18-14/h1-6,9H,7-8,16H2
InChIKeyIESJBDDAPAUNNN-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium
CID 4109407
3-phenothiazin-10-ylpropan-1-amine
CID 11079240
2-chloro-10-(4-methylheptyl)phenothiazine
CID 155242935
2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride
CID 178190515
3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 110174342
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
2-chloro-10-[3-(4-phenylpiperazin-1-yl)propyl]phenothiazine
CID 135251831
3-(2-chlorophenothiazin-10-yl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)propan-1-amine;hydrochloride
CID 71314834
3-(3-chlorophenothiazin-10-yl)propan-1-ol
CID 163458253
2-chloro-10-[(3-methylphenyl)methyl]phenothiazine
CID 132591419

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenothiazin-10-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenothiazin-10-yl)ethanamine (CID 71258304) is 2-(2-chlorophenothiazin-10-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenothiazin-10-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenothiazin-10-yl)ethanamine is NCCN1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 2-(2-chlorophenothiazin-10-yl)ethanamine?
The InChIKey is IESJBDDAPAUNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2S/c15-10-5-6-14-12(9-10)17(8-7-16)11-3-1-2-4-13(11)18-14/h1-6,9H,7-8,16H2.
What are the key properties of 2-(2-chlorophenothiazin-10-yl)ethanamine?
2-(2-chlorophenothiazin-10-yl)ethanamine has a molecular weight of 276.79 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenothiazin-10-yl)ethanamine is sourced from PubChem (CID 71258304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).