1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine

C11H14ClNOS — CID 114865006

IUPAC1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1SC1COC1
InChIInChI=1S/C11H14ClNOS/c1-13-5-8-2-3-9(12)4-11(8)15-10-6-14-7-10/h2-4,10,13H,5-7H2,1H3
InChIKeyAPYMGXGMXUWMDD-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.55
Rot. Bonds4

About 1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine

1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine (PubChem CID 114865006) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
PubChem CID114865006
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1SC1COC1
InChIInChI=1S/C11H14ClNOS/c1-13-5-8-2-3-9(12)4-11(8)15-10-6-14-7-10/h2-4,10,13H,5-7H2,1H3
InChIKeyAPYMGXGMXUWMDD-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114865010
N-[[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 114865012
1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 114863888
1-[4-chloro-2-[(2-methylphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 114864628
1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine
CID 66160497
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
(4-chloro-2-cyclopentylsulfanylphenyl)methanol
CID 114865639
N-[[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]methyl]propan-1-amine
CID 107761298
1-[4-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114864146
1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
CID 82553451
[4-bromo-2-(oxetan-3-ylsulfanyl)phenyl]methanamine
CID 79332860
1-[4-chloro-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114864086

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine (CID 114865006) is 1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine is CNCc1ccc(Cl)cc1SC1COC1.
What is the InChIKey of 1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine?
The InChIKey is APYMGXGMXUWMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-13-5-8-2-3-9(12)4-11(8)15-10-6-14-7-10/h2-4,10,13H,5-7H2,1H3.
What are the key properties of 1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine has a molecular weight of 243.76 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114865006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).