1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine

C11H16ClNOS — CID 103406022

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1scc(C)c1Cl)C1CCOC1
InChIInChI=1S/C11H16ClNOS/c1-7-6-15-11(9(7)12)10(13-2)8-3-4-14-5-8/h6,8,10,13H,3-5H2,1-2H3
InChIKeyYWKMIGOWDUZKRM-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.01
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 103406022) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID103406022
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1scc(C)c1Cl)C1CCOC1
InChIInChI=1S/C11H16ClNOS/c1-7-6-15-11(9(7)12)10(13-2)8-3-4-14-5-8/h6,8,10,13H,3-5H2,1-2H3
InChIKeyYWKMIGOWDUZKRM-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 103406702
1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856559
[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 103408526
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65298857
N-methyl-1-(2-methylfuran-3-yl)-1-(oxolan-3-yl)methanamine
CID 104789944
[(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine
CID 103408753
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 81473942
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105147508
4-methyl-3-[methylamino(oxolan-3-yl)methyl]pyridin-2-amine
CID 65329909
(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine
CID 103405143

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine (CID 103406022) is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine is CNC(c1scc(C)c1Cl)C1CCOC1.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is YWKMIGOWDUZKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-7-6-15-11(9(7)12)10(13-2)8-3-4-14-5-8/h6,8,10,13H,3-5H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine?
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 245.77 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 103406022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).