1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol

C19H24N2OS — CID 525233

IUPAC1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol
SMILESCC(O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3
InChIKeyZIJWCRNUEBJMSQ-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.29
Rot. Bonds5

About 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol

1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol (PubChem CID 525233) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol
PubChem CID525233
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol
SMILESCC(O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3
InChIKeyZIJWCRNUEBJMSQ-UHFFFAOYSA-N
XLogP4.29
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(10H-phenothiazin-2-yl)ethanol
CID 350926
[3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-phenyl]-methanol
CID 44398372
(10H-phenothiazin-2-yl)methanol
CID 67358482
4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol
CID 85469583
4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol
CID 86276223
2-hydroxy-5-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-thiazine-4-carbaldehyde
CID 90655206
4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol
CID 53388789
3-(10-methylphenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol
CID 86276222
4-Methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol
CID 90655200
4-methyl-2-(10-methylphenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol
CID 90655201
4-methyl-2-phenyl-3H-1,4-benzothiazin-2-ol
CID 145951676
1-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-ol
CID 59372967

Frequently Asked Questions

What is the IUPAC name of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol?
The IUPAC name of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol (CID 525233) is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol.
What is the SMILES notation for 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol?
The canonical SMILES for 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol is CC(O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.
What is the InChIKey of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol?
The InChIKey is ZIJWCRNUEBJMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3.
What are the key properties of 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol?
1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol has a molecular weight of 328.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol is sourced from PubChem (CID 525233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).