3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine

C17H20N2S — CID 70584007

IUPAC3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine
SMILESCc1cc2c(c(CCCN)c1C)Nc1ccccc1S2
InChIInChI=1S/C17H20N2S/c1-11-10-16-17(13(12(11)2)6-5-9-18)19-14-7-3-4-8-15(14)20-16/h3-4,7-8,10,19H,5-6,9,18H2,1-2H3
InChIKeyQVQOCNJNKHTUEL-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.40
Rot. Bonds3

About 3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine

3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine (PubChem CID 70584007) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine
PubChem CID70584007
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine
SMILESCc1cc2c(c(CCCN)c1C)Nc1ccccc1S2
InChIInChI=1S/C17H20N2S/c1-11-10-16-17(13(12(11)2)6-5-9-18)19-14-7-3-4-8-15(14)20-16/h3-4,7-8,10,19H,5-6,9,18H2,1-2H3
InChIKeyQVQOCNJNKHTUEL-UHFFFAOYSA-N
XLogP4.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine?
The IUPAC name of 3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine (CID 70584007) is 3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine?
The canonical SMILES for 3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine is Cc1cc2c(c(CCCN)c1C)Nc1ccccc1S2.
What is the InChIKey of 3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine?
The InChIKey is QVQOCNJNKHTUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-11-10-16-17(13(12(11)2)6-5-9-18)19-14-7-3-4-8-15(14)20-16/h3-4,7-8,10,19H,5-6,9,18H2,1-2H3.
What are the key properties of 3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine?
3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine has a molecular weight of 284.43 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-10H-phenothiazin-1-yl)propan-1-amine is sourced from PubChem (CID 70584007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).