2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine

C11H16ClNOS — CID 117033637

IUPAC2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(C)(C)Sc1cc(Cl)ccc1OC
InChIInChI=1S/C11H16ClNOS/c1-11(2,13-3)15-10-7-8(12)5-6-9(10)14-4/h5-7,13H,1-4H3
InChIKeyOIQOJFRDPZSITP-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.40
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine

2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 117033637) has the molecular formula C11H16ClNOS and a molecular weight of 245.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID117033637
Molecular FormulaC11H16ClNOS
Molecular Weight245.78 g/mol
Exact Mass245.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(C)(C)Sc1cc(Cl)ccc1OC
InChIInChI=1S/C11H16ClNOS/c1-11(2,13-3)15-10-7-8(12)5-6-9(10)14-4/h5-7,13H,1-4H3
InChIKeyOIQOJFRDPZSITP-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-2-methoxyphenyl)sulfanyl-3-methylbutan-1-amine
CID 117032753
2-(5-chloro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853484
(5-chloro-2-methoxyphenyl)sulfanylformic acid
CID 117033458
4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol
CID 144977833
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
methyl 3-(5-chloro-2-methoxyphenyl)sulfanylpropanoate
CID 117034051
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
2-(5-chloro-2-methoxyphenyl)propane-2-thiol
CID 116866548
CID 70601990
CID 70601990
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 62789919

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine (CID 117033637) is 2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine is CNC(C)(C)Sc1cc(Cl)ccc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is OIQOJFRDPZSITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-11(2,13-3)15-10-7-8(12)5-6-9(10)14-4/h5-7,13H,1-4H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine?
2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine has a molecular weight of 245.78 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 117033637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).