4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine

C20H25ClN2O — CID 10521421

IUPAC4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21
InChIInChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
InChIKeyGYBXAGDWMCJZJK-UHFFFAOYSA-N
MW344.89 g/mol
LogP5.71
Rot. Bonds7

About 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine

4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine (PubChem CID 10521421) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine
PubChem CID10521421
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21
InChIInChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
InChIKeyGYBXAGDWMCJZJK-UHFFFAOYSA-N
XLogP5.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.89
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Traboxopine
CID 129812
(2-Chlorophenoxazin-10-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 137631808
(2,8-Dichlorophenoxazin-10-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 137658441
1-(5-Chloro-2-methoxyphenyl)piperazine
CID 2735754
10-(3-Morpholin-4-ylpropyl)phenoxazine
CID 9861505
10-(4-morpholin-4-ylbutyl)-10H-phenoxazine
CID 10041941
10-(3-Chloropropyl)-10H-phenoxazine
CID 10083926
Phenoxazine, 10-(3-piperidinopropyl)-
CID 3024456
4-(2-Chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine--hydrogen chloride (1/1)
CID 16760284
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 1091403
2-(4-Chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 1153594
N-(5-chloro-2-phenoxyphenyl)-2-piperidin-1-ylacetamide
CID 2091443

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine?
The IUPAC name of 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine (CID 10521421) is 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine is CCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21.
What is the InChIKey of 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine?
The InChIKey is GYBXAGDWMCJZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3.
What are the key properties of 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine?
4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine has a molecular weight of 344.89 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine is sourced from PubChem (CID 10521421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).