[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine

C14H13Cl2NOS — CID 81303475

IUPAC[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(Sc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H13Cl2NOS/c1-18-11-4-2-9(8-17)13(7-11)19-14-6-10(15)3-5-12(14)16/h2-7H,8,17H2,1H3
InChIKeyFQIFCTVIAMEBGV-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.61
Rot. Bonds4

About [2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine

[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine (PubChem CID 81303475) has the molecular formula C14H13Cl2NOS and a molecular weight of 314.24 g/mol. Its IUPAC name is [2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine
PubChem CID81303475
Molecular FormulaC14H13Cl2NOS
Molecular Weight314.24 g/mol
Exact Mass313.01
IUPAC Name[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(Sc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H13Cl2NOS/c1-18-11-4-2-9(8-17)13(7-11)19-14-6-10(15)3-5-12(14)16/h2-7H,8,17H2,1H3
InChIKeyFQIFCTVIAMEBGV-UHFFFAOYSA-N
XLogP4.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine
CID 81304113
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114865881
[2-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60878519
[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 115383195
(4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine
CID 63404639
[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 112749101
[4-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 81304317
[2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine
CID 81305086
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine
CID 55180213
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine (CID 81303475) is [2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine is COc1ccc(CN)c(Sc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of [2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine?
The InChIKey is FQIFCTVIAMEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NOS/c1-18-11-4-2-9(8-17)13(7-11)19-14-6-10(15)3-5-12(14)16/h2-7H,8,17H2,1H3.
What are the key properties of [2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine?
[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine has a molecular weight of 314.24 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine is sourced from PubChem (CID 81303475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).