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

C20H26Cl2N2O — CID 16760284

IUPAC4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride
SMILESCCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21.Cl
InChIInChI=1S/C20H25ClN2O.ClH/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;1H
InChIKeySVKSJUIYYCQZEC-UHFFFAOYSA-N
MW381.35 g/mol
LogP6.13
Rot. Bonds7

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

4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride (PubChem CID 16760284) has the molecular formula C20H26Cl2N2O and a molecular weight of 381.35 g/mol. Its IUPAC name is 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride
PubChem CID16760284
Molecular FormulaC20H26Cl2N2O
Molecular Weight381.35 g/mol
Exact Mass380.14
IUPAC Name4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride
SMILESCCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21.Cl
InChIInChI=1S/C20H25ClN2O.ClH/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;1H
InChIKeySVKSJUIYYCQZEC-UHFFFAOYSA-N
XLogP6.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.35
LogP ≤ 56.13
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

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CID 143421722
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CID 54754280
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CID 71314834
2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone
CID 10803696
4-(4,4a-dihydrophenoxazin-10-yl)-N,N-diethylbutan-1-amine
CID 121400076
tert-butyl N-[4-(9-chloro-5-methyl-6-oxobenzo[b][1,4]benzodiazepin-11-yl)butyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 166010077
3-(2-propylphenoxazin-10-yl)propane-1-sulfonic acid
CID 54152710
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
CID 59372977
N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide
CID 143252782
N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide;ethane
CID 143252781
2-chloro-5-[2-(dimethylamino)ethyl]benzo[b][1,4]benzoxazepin-6-one;hydrochloride
CID 86006715
3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 110174342

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride?
The IUPAC name of 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride (CID 16760284) is 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride.
What is the SMILES notation for 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride?
The canonical SMILES for 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride is CCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21.Cl.
What is the InChIKey of 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride?
The InChIKey is SVKSJUIYYCQZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O.ClH/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;1H.
What are the key properties of 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride?
4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride has a molecular weight of 381.35 g/mol, XLogP of 6.13, 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;hydrochloride is sourced from PubChem (CID 16760284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).