3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine

C18H23N3S — CID 10086958

IUPAC3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2Sc2ccc(CN)cc21
InChIInChI=1S/C18H23N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11,13,19H2,1-2H3
InChIKeyNEEFBKJNTKASPM-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.70
Rot. Bonds5

About 3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine

3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine (PubChem CID 10086958) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine
PubChem CID10086958
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC Name3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2Sc2ccc(CN)cc21
InChIInChI=1S/C18H23N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11,13,19H2,1-2H3
InChIKeyNEEFBKJNTKASPM-UHFFFAOYSA-N
XLogP3.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Trifluoperazine
CID 5566
Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Promazine
CID 4926
Triflupromazine
CID 5568
Vortioxetine
CID 9966051
Methdilazine
CID 14677
Cyamemazine
CID 62865
(+-)-Ethopropazine
CID 3290
Methdilazine Hydrochloride
CID 14676
Promazine Hydrochloride
CID 5887
Trifluoperazine Hydrochloride
CID 66064

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine (CID 10086958) is 3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1c2ccccc2Sc2ccc(CN)cc21.
What is the InChIKey of 3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is NEEFBKJNTKASPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11,13,19H2,1-2H3.
What are the key properties of 3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine?
3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 313.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10086958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).