1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride

C18H20Cl2N2S — CID 21126901

IUPAC1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)CC1CC1N1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChIInChI=1S/C18H19ClN2S.ClH/c1-20(2)11-12-9-15(12)21-14-5-3-4-6-17(14)22-18-8-7-13(19)10-16(18)21;/h3-8,10,12,15H,9,11H2,1-2H3;1H
InChIKeyBGLVLGSVJCMVIK-UHFFFAOYSA-N
MW367.35 g/mol
LogP5.31
Rot. Bonds3

About 1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride

1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 21126901) has the molecular formula C18H20Cl2N2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID21126901
Molecular FormulaC18H20Cl2N2S
Molecular Weight367.35 g/mol
Exact Mass366.07
IUPAC Name1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)CC1CC1N1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChIInChI=1S/C18H19ClN2S.ClH/c1-20(2)11-12-9-15(12)21-14-5-3-4-6-17(14)22-18-8-7-13(19)10-16(18)21;/h3-8,10,12,15H,9,11H2,1-2H3;1H
InChIKeyBGLVLGSVJCMVIK-UHFFFAOYSA-N
XLogP5.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.35
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride (CID 21126901) is 1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride is CN(C)CC1CC1N1c2ccccc2Sc2ccc(Cl)cc21.Cl.
What is the InChIKey of 1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is BGLVLGSVJCMVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2S.ClH/c1-20(2)11-12-9-15(12)21-14-5-3-4-6-17(14)22-18-8-7-13(19)10-16(18)21;/h3-8,10,12,15H,9,11H2,1-2H3;1H.
What are the key properties of 1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride?
1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 367.35 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 21126901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).