2-chloro-10-[(3-methylphenyl)methyl]phenothiazine

C20H16ClNS — CID 132591419

IUPAC2-chloro-10-[(3-methylphenyl)methyl]phenothiazine
SMILESCc1cccc(CN2c3ccccc3Sc3ccc(Cl)cc32)c1
InChIInChI=1S/C20H16ClNS/c1-14-5-4-6-15(11-14)13-22-17-7-2-3-8-19(17)23-20-10-9-16(21)12-18(20)22/h2-12H,13H2,1H3
InChIKeyKXFBWMHDRYCRFW-UHFFFAOYSA-N
MW337.88 g/mol
LogP6.45
Rot. Bonds2

About 2-chloro-10-[(3-methylphenyl)methyl]phenothiazine

2-chloro-10-[(3-methylphenyl)methyl]phenothiazine (PubChem CID 132591419) has the molecular formula C20H16ClNS and a molecular weight of 337.88 g/mol. Its IUPAC name is 2-chloro-10-[(3-methylphenyl)methyl]phenothiazine.

Molecular Properties

Compound Name2-chloro-10-[(3-methylphenyl)methyl]phenothiazine
PubChem CID132591419
Molecular FormulaC20H16ClNS
Molecular Weight337.88 g/mol
Exact Mass337.07
IUPAC Name2-chloro-10-[(3-methylphenyl)methyl]phenothiazine
SMILESCc1cccc(CN2c3ccccc3Sc3ccc(Cl)cc32)c1
InChIInChI=1S/C20H16ClNS/c1-14-5-4-6-15(11-14)13-22-17-7-2-3-8-19(17)23-20-10-9-16(21)12-18(20)22/h2-12H,13H2,1H3
InChIKeyKXFBWMHDRYCRFW-UHFFFAOYSA-N
XLogP6.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.88
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-10-[(3-methylphenyl)methyl]phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
10-[(3-bromo-5-methylphenyl)methyl]phenothiazine
CID 173259016
5-[(3-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate
CID 4640829
3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium
CID 4109407
3-(2-chlorophenothiazin-10-yl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)propan-1-amine;hydrochloride
CID 71314834
N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine
CID 158500494
(4-benzylphenyl)methyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium
CID 10345866
2-chloro-10-[1,1,2,2,3,3-hexadeuterio-3-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)propyl]phenothiazine
CID 45280504
1-(2-chlorophenothiazin-10-yl)-3-(propan-2-ylamino)propan-2-ol
CID 4079548
2-chloro-10-(4-methylheptyl)phenothiazine
CID 155242935
1-(10-benzylphenothiazin-2-yl)ethyl acetate
CID 166514345
3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(3-methylbutyl)azanium bromide
CID 155234289

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[(3-methylphenyl)methyl]phenothiazine?
The IUPAC name of 2-chloro-10-[(3-methylphenyl)methyl]phenothiazine (CID 132591419) is 2-chloro-10-[(3-methylphenyl)methyl]phenothiazine.
What is the SMILES notation for 2-chloro-10-[(3-methylphenyl)methyl]phenothiazine?
The canonical SMILES for 2-chloro-10-[(3-methylphenyl)methyl]phenothiazine is Cc1cccc(CN2c3ccccc3Sc3ccc(Cl)cc32)c1.
What is the InChIKey of 2-chloro-10-[(3-methylphenyl)methyl]phenothiazine?
The InChIKey is KXFBWMHDRYCRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNS/c1-14-5-4-6-15(11-14)13-22-17-7-2-3-8-19(17)23-20-10-9-16(21)12-18(20)22/h2-12H,13H2,1H3.
What are the key properties of 2-chloro-10-[(3-methylphenyl)methyl]phenothiazine?
2-chloro-10-[(3-methylphenyl)methyl]phenothiazine has a molecular weight of 337.88 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[(3-methylphenyl)methyl]phenothiazine is sourced from PubChem (CID 132591419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).