N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine

C19H24N2O — CID 10402333

IUPACN,N-diethyl-3-phenoxazin-10-ylpropan-1-amine
SMILESCCN(CC)CCCN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H24N2O/c1-3-20(4-2)14-9-15-21-16-10-5-7-12-18(16)22-19-13-8-6-11-17(19)21/h5-8,10-13H,3-4,9,14-15H2,1-2H3
InChIKeyDIAIRQDHOVNBOG-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.66
Rot. Bonds6

About N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine

N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine (PubChem CID 10402333) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-phenoxazin-10-ylpropan-1-amine
PubChem CID10402333
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN,N-diethyl-3-phenoxazin-10-ylpropan-1-amine
SMILESCCN(CC)CCCN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H24N2O/c1-3-20(4-2)14-9-15-21-16-10-5-7-12-18(16)22-19-13-8-6-11-17(19)21/h5-8,10-13H,3-4,9,14-15H2,1-2H3
InChIKeyDIAIRQDHOVNBOG-UHFFFAOYSA-N
XLogP4.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.66
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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Related Compounds

1-(2-Methoxyphenyl)piperazine
CID 1346
3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
1-(2-Ethoxyphenyl)piperazine
CID 83357
Phenoxazine
CID 67278
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
Piperazine, 1-(3-phenoxypropyl)-4-phenyl-
CID 3050372
1-Butyl-4-(2-methoxy-phenyl)-piperazine
CID 10354670
1-Ethyl-4-(2-methoxyphenyl)piperazine
CID 10376185
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
1-(2-Phenoxyphenyl)piperazine
CID 12996705

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine?
The IUPAC name of N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine (CID 10402333) is N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine.
What is the SMILES notation for N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine?
The canonical SMILES for N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine is CCN(CC)CCCN1c2ccccc2Oc2ccccc21.
What is the InChIKey of N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine?
The InChIKey is DIAIRQDHOVNBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-20(4-2)14-9-15-21-16-10-5-7-12-18(16)22-19-13-8-6-11-17(19)21/h5-8,10-13H,3-4,9,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine?
N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine has a molecular weight of 296.41 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-phenoxazin-10-ylpropan-1-amine is sourced from PubChem (CID 10402333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).