N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine

C19H24N2S — CID 172808842

IUPACN,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine
SMILESCCN(CC)CC(C)c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C19H24N2S/c1-4-21(5-2)13-14(3)15-9-8-12-18-19(15)20-16-10-6-7-11-17(16)22-18/h6-12,14,20H,4-5,13H2,1-3H3
InChIKeyRWSIZTIFAJALSN-UHFFFAOYSA-N
MW312.48 g/mol
LogP5.34
Rot. Bonds5

About N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine

N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine (PubChem CID 172808842) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine
PubChem CID172808842
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC NameN,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine
SMILESCCN(CC)CC(C)c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C19H24N2S/c1-4-21(5-2)13-14(3)15-9-8-12-18-19(15)20-16-10-6-7-11-17(16)22-18/h6-12,14,20H,4-5,13H2,1-3H3
InChIKeyRWSIZTIFAJALSN-UHFFFAOYSA-N
XLogP5.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine?
The IUPAC name of N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine (CID 172808842) is N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine.
What is the SMILES notation for N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine?
The canonical SMILES for N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine is CCN(CC)CC(C)c1cccc2c1Nc1ccccc1S2.
What is the InChIKey of N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine?
The InChIKey is RWSIZTIFAJALSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-4-21(5-2)13-14(3)15-9-8-12-18-19(15)20-16-10-6-7-11-17(16)22-18/h6-12,14,20H,4-5,13H2,1-3H3.
What are the key properties of N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine?
N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine has a molecular weight of 312.48 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine is sourced from PubChem (CID 172808842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).