N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine

C24H26N2OS — CID 12052197

IUPACN-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine
SMILESCc1ccc2c(c1C)N(CCCNCc1ccccc1)c1ccccc1S2=O
InChIInChI=1S/C24H26N2OS/c1-18-13-14-23-24(19(18)2)26(21-11-6-7-12-22(21)28(23)27)16-8-15-25-17-20-9-4-3-5-10-20/h3-7,9-14,25H,8,15-17H2,1-2H3
InChIKeyUDOBNMHQRMLZQN-UHFFFAOYSA-N
MW390.55 g/mol
LogP5.10
Rot. Bonds6

About N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine

N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine (PubChem CID 12052197) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine
PubChem CID12052197
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC NameN-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine
SMILESCc1ccc2c(c1C)N(CCCNCc1ccccc1)c1ccccc1S2=O
InChIInChI=1S/C24H26N2OS/c1-18-13-14-23-24(19(18)2)26(21-11-6-7-12-22(21)28(23)27)16-8-15-25-17-20-9-4-3-5-10-20/h3-7,9-14,25H,8,15-17H2,1-2H3
InChIKeyUDOBNMHQRMLZQN-UHFFFAOYSA-N
XLogP5.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 10-[3-(benzylamino)propyl]-8,9-dimethyl-5-oxophenothiazine-4-carboxylate
CID 18334608
3-(1,2-dimethyl-5-oxophenothiazin-10-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 20633041
N-benzyl-3-[1,2-dimethyl-6-(2-methylperoxyethyl)-5-oxophenothiazin-10-yl]propan-1-amine
CID 20715059
N-benzyl-3-(6,7-dimethyl-10-oxo-2-propoxypyrido[2,3-b][1,4]benzothiazin-5-yl)propan-1-amine
CID 18510510
2-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]isoindole-1,3-dione
CID 12052205
3-(1,2-dimethyl-5-oxophenothiazin-10-yl)-N-[[3-methoxy-5-(2-methylprop-1-enyl)thiophen-2-yl]methyl]propan-1-amine
CID 20715052
N-benzyl-3-(1,2-dimethyl-5,5-dioxophenothiazin-10-yl)propan-1-amine
CID 18334625
N-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-4-fluorobenzenesulfonamide
CID 139795073
2-[benzyl-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]amino]ethane-1,1-diol
CID 20715049
1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide
CID 18334407
1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine
CID 18334412
2-[cyanomethyl-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]amino]acetonitrile
CID 163596583

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
The IUPAC name of N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine (CID 12052197) is N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine.
What is the SMILES notation for N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
The canonical SMILES for N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine is Cc1ccc2c(c1C)N(CCCNCc1ccccc1)c1ccccc1S2=O.
What is the InChIKey of N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
The InChIKey is UDOBNMHQRMLZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-18-13-14-23-24(19(18)2)26(21-11-6-7-12-22(21)28(23)27)16-8-15-25-17-20-9-4-3-5-10-20/h3-7,9-14,25H,8,15-17H2,1-2H3.
What are the key properties of N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine has a molecular weight of 390.55 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine is sourced from PubChem (CID 12052197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).