[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine

C15H16ClNS — CID 63404960

IUPAC[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccc(C)c(Sc2ccc(CN)cc2Cl)c1
InChIInChI=1S/C15H16ClNS/c1-10-3-4-11(2)15(7-10)18-14-6-5-12(9-17)8-13(14)16/h3-8H,9,17H2,1-2H3
InChIKeyMTDMAFKRDHJQKN-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.57
Rot. Bonds3

About [3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine

[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine (PubChem CID 63404960) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is [3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine
PubChem CID63404960
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccc(C)c(Sc2ccc(CN)cc2Cl)c1
InChIInChI=1S/C15H16ClNS/c1-10-3-4-11(2)15(7-10)18-14-6-5-12(9-17)8-13(14)16/h3-8H,9,17H2,1-2H3
InChIKeyMTDMAFKRDHJQKN-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine
CID 63088855
1-[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]ethanamine
CID 63532150
[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]methanamine
CID 63089190
3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63087256
2-[4-(aminomethyl)-2-chlorophenyl]sulfanylpyrimidine-4,6-diamine
CID 81160707
3-[4-(aminomethyl)-2-chlorophenyl]sulfanylbutan-2-ol
CID 107772258
[3-chloro-4-[(2,5-dimethylphenyl)sulfinylmethyl]phenyl]methanamine
CID 102670623
[3-chloro-4-[(2,5-dimethylphenyl)sulfonylmethyl]phenyl]methanamine
CID 102670575
3-(2-chlorophenyl)sulfanyl-4-methylaniline
CID 62590920
(1S)-1-[3-chloro-4-(2,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 78944451
2-(3-chloro-4-methylsulfanylphenyl)ethanamine
CID 81159751
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine (CID 63404960) is [3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine is Cc1ccc(C)c(Sc2ccc(CN)cc2Cl)c1.
What is the InChIKey of [3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine?
The InChIKey is MTDMAFKRDHJQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c1-10-3-4-11(2)15(7-10)18-14-6-5-12(9-17)8-13(14)16/h3-8H,9,17H2,1-2H3.
What are the key properties of [3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine?
[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine has a molecular weight of 277.82 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 63404960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).