N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine

C19H22Cl2N2S — CID 3064128

IUPACN-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine
SMILESCCN(CCCl)C(C)CN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H22Cl2N2S/c1-3-22(11-10-20)14(2)13-23-16-6-4-5-7-18(16)24-19-9-8-15(21)12-17(19)23/h4-9,12,14H,3,10-11,13H2,1-2H3
InChIKeyLTDVECDBEJWJSS-UHFFFAOYSA-N
MW381.37 g/mol
LogP5.89
Rot. Bonds6

About N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine

N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine (PubChem CID 3064128) has the molecular formula C19H22Cl2N2S and a molecular weight of 381.37 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine
PubChem CID3064128
Molecular FormulaC19H22Cl2N2S
Molecular Weight381.37 g/mol
Exact Mass380.09
IUPAC NameN-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine
SMILESCCN(CCCl)C(C)CN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H22Cl2N2S/c1-3-22(11-10-20)14(2)13-23-16-6-4-5-7-18(16)24-19-9-8-15(21)12-17(19)23/h4-9,12,14H,3,10-11,13H2,1-2H3
InChIKeyLTDVECDBEJWJSS-UHFFFAOYSA-N
XLogP5.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.37
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride
CID 23615719
2-[1-(2-chlorophenothiazin-10-yl)propan-2-yloxy]-N,N-dimethylethanamine
CID 3064130
1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol
CID 4079548
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
2-chloro-10-(4-methylheptyl)phenothiazine
CID 155242935
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride
CID 68867493
2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine
CID 4082930
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide
CID 138399821
1-(2-chlorophenothiazin-10-yl)-N,N-dimethylheptan-4-amine
CID 19029744
N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine
CID 46219426
azane;10-(2-chloropropyl)phenothiazine
CID 70621156
3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium
CID 4109407

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine?
The IUPAC name of N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine (CID 3064128) is N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine?
The canonical SMILES for N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine is CCN(CCCl)C(C)CN1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine?
The InChIKey is LTDVECDBEJWJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2S/c1-3-22(11-10-20)14(2)13-23-16-6-4-5-7-18(16)24-19-9-8-15(21)12-17(19)23/h4-9,12,14H,3,10-11,13H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine?
N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine has a molecular weight of 381.37 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 3064128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).