N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine

C24H26N2O — CID 118724307

IUPACN-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine
SMILESCN(CCCN1c2ccccc2Oc2ccccc21)CCc1ccccc1
InChIInChI=1S/C24H26N2O/c1-25(19-16-20-10-3-2-4-11-20)17-9-18-26-21-12-5-7-14-23(21)27-24-15-8-6-13-22(24)26/h2-8,10-15H,9,16-19H2,1H3
InChIKeyZJEUSMOJVJPSNI-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.49
Rot. Bonds7

About N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine

N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine (PubChem CID 118724307) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine
PubChem CID118724307
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC NameN-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine
SMILESCN(CCCN1c2ccccc2Oc2ccccc21)CCc1ccccc1
InChIInChI=1S/C24H26N2O/c1-25(19-16-20-10-3-2-4-11-20)17-9-18-26-21-12-5-7-14-23(21)27-24-15-8-6-13-22(24)26/h2-8,10-15H,9,16-19H2,1H3
InChIKeyZJEUSMOJVJPSNI-UHFFFAOYSA-N
XLogP5.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine (CID 118724307) is N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine is CN(CCCN1c2ccccc2Oc2ccccc21)CCc1ccccc1.
What is the InChIKey of N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine?
The InChIKey is ZJEUSMOJVJPSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-25(19-16-20-10-3-2-4-11-20)17-9-18-26-21-12-5-7-14-23(21)27-24-15-8-6-13-22(24)26/h2-8,10-15H,9,16-19H2,1H3.
What are the key properties of N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine?
N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine has a molecular weight of 358.49 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 118724307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).