2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine

C19H23ClN2S — CID 4082930

IUPAC2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(C)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H23ClN2S/c1-4-21(5-2)13-14(3)22-16-8-6-7-9-18(16)23-19-11-10-15(20)12-17(19)22/h6-12,14H,4-5,13H2,1-3H3
InChIKeyOSRHRKZKAYRCMF-UHFFFAOYSA-N
MW346.93 g/mol
LogP5.67
Rot. Bonds5

About 2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine

2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine (PubChem CID 4082930) has the molecular formula C19H23ClN2S and a molecular weight of 346.93 g/mol. Its IUPAC name is 2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine
PubChem CID4082930
Molecular FormulaC19H23ClN2S
Molecular Weight346.93 g/mol
Exact Mass346.13
IUPAC Name2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(C)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H23ClN2S/c1-4-21(5-2)13-14(3)22-16-8-6-7-9-18(16)23-19-11-10-15(20)12-17(19)22/h6-12,14H,4-5,13H2,1-3H3
InChIKeyOSRHRKZKAYRCMF-UHFFFAOYSA-N
XLogP5.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.93
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carbothioamide
CID 88511496
7-chloro-10-[1-(diethylamino)propan-2-yl]phenothiazine-2-carbothioamide
CID 15925247
10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride
CID 70356780
N-butyl-10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carbothioamide
CID 88511505
7-chloro-10-[(2R)-1-(diethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide
CID 88511571
10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile
CID 67922717
N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine
CID 3064128
2-[10-[1-(diethylamino)propan-2-yl]-1-(2-methylbutyl)phenothiazin-2-yl]acetamide
CID 139682412
[3,7-bis(2-chlorophenothiazin-10-yl)-9-(dimethylazaniumyl)nonyl]-dimethylazanium dibromide
CID 135395392
[3-(2-chlorophenothiazin-10-yl)-3-sulfinopropyl]-trimethylazanium
CID 57107695
10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide
CID 15925239
10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride
CID 15925264

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine (CID 4082930) is 2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine is CCN(CC)CC(C)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine?
The InChIKey is OSRHRKZKAYRCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2S/c1-4-21(5-2)13-14(3)22-16-8-6-7-9-18(16)23-19-11-10-15(20)12-17(19)22/h6-12,14H,4-5,13H2,1-3H3.
What are the key properties of 2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine?
2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine has a molecular weight of 346.93 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 4082930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).