1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol

C18H21ClN2OS — CID 4079548

IUPAC1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C18H21ClN2OS/c1-12(2)20-10-14(22)11-21-15-5-3-4-6-17(15)23-18-8-7-13(19)9-16(18)21/h3-9,12,14,20,22H,10-11H2,1-2H3
InChIKeyMFFICZMPHYJGGZ-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.30
Rot. Bonds5

About 1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol

1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 4079548) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol
PubChem CID4079548
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C18H21ClN2OS/c1-12(2)20-10-14(22)11-21-15-5-3-4-6-17(15)23-18-8-7-13(19)9-16(18)21/h3-9,12,14,20,22H,10-11H2,1-2H3
InChIKeyMFFICZMPHYJGGZ-UHFFFAOYSA-N
XLogP4.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2R)-2-hydroxy-3-phenothiazin-10-ylpropyl]amino]butan-1-ol
CID 881872
N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine
CID 3064128
1-phenothiazin-10-yl-3-(4-propan-2-ylanilino)propan-2-ol;hydrochloride
CID 18593399
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
1-(cyclopentylamino)-3-phenothiazin-10-ylpropan-2-ol
CID 23819908
5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 43343141
2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine
CID 3064130
1-[[S-(4-chlorophenyl)-N-methylsulfonimidoyl]amino]-3-phenothiazin-10-ylpropan-2-ol
CID 166592849
1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol
CID 139567013
2-chloro-10-(4-methylheptyl)phenothiazine
CID 155242935
(2S)-1-(4-methoxyanilino)-3-phenothiazin-10-ylpropan-2-ol
CID 1186401
1-(4-methoxyanilino)-3-phenothiazin-10-ylpropan-2-ol
CID 2897582

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol (CID 4079548) is 1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CN1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is MFFICZMPHYJGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-12(2)20-10-14(22)11-21-15-5-3-4-6-17(15)23-18-8-7-13(19)9-16(18)21/h3-9,12,14,20,22H,10-11H2,1-2H3.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol?
1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 348.90 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 4079548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).