3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine

C21H23ClN2S — CID 110174342

IUPAC3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C21H23ClN2S/c1-3-12-23(13-4-2)14-7-15-24-18-8-5-6-9-20(18)25-21-11-10-17(22)16-19(21)24/h3-6,8-11,16H,1-2,7,12-15H2
InChIKeyWFIASKHBZUYYIP-UHFFFAOYSA-N
MW370.95 g/mol
LogP6.01
Rot. Bonds8

About 3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine

3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine (PubChem CID 110174342) has the molecular formula C21H23ClN2S and a molecular weight of 370.95 g/mol. Its IUPAC name is 3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine
PubChem CID110174342
Molecular FormulaC21H23ClN2S
Molecular Weight370.95 g/mol
Exact Mass370.13
IUPAC Name3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C21H23ClN2S/c1-3-12-23(13-4-2)14-7-15-24-18-8-5-6-9-20(18)25-21-11-10-17(22)16-19(21)24/h3-6,8-11,16H,1-2,7,12-15H2
InChIKeyWFIASKHBZUYYIP-UHFFFAOYSA-N
XLogP6.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.95
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
3-(2-chlorophenothiazin-10-yl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)propan-1-amine;hydrochloride
CID 71314834
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
3-(2-chlorophenothiazin-10-yl)-N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 58600270
3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium
CID 4109407
2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride
CID 178190515
2-chloro-10-(4-methylheptyl)phenothiazine
CID 155242935
N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine
CID 158500494
1-(2-chlorophenothiazin-10-yl)-N,N-dimethylheptan-4-amine
CID 19029744
(Z)-but-2-enedioic acid;3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine oxide
CID 131667596
3-(3-chlorophenothiazin-10-yl)propan-1-ol
CID 163458253
bis((Z)-but-2-enedioic acid);bis(2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine)
CID 173171590

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
The IUPAC name of 3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine (CID 110174342) is 3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
The canonical SMILES for 3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine is C=CCN(CC=C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
The InChIKey is WFIASKHBZUYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2S/c1-3-12-23(13-4-2)14-7-15-24-18-8-5-6-9-20(18)25-21-11-10-17(22)16-19(21)24/h3-6,8-11,16H,1-2,7,12-15H2.
What are the key properties of 3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine has a molecular weight of 370.95 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine is sourced from PubChem (CID 110174342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).