(5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine

C13H20ClNOS — CID 102763547

IUPAC(5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCc1cc(C(N)C2C(C)OC(C)C2C)sc1Cl
InChIInChI=1S/C13H20ClNOS/c1-6-5-10(17-13(6)14)12(15)11-7(2)8(3)16-9(11)4/h5,7-9,11-12H,15H2,1-4H3
InChIKeyFDSOJNAEUVNOKK-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.77
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine

(5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 102763547) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID102763547
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCc1cc(C(N)C2C(C)OC(C)C2C)sc1Cl
InChIInChI=1S/C13H20ClNOS/c1-6-5-10(17-13(6)14)12(15)11-7(2)8(3)16-9(11)4/h5,7-9,11-12H,15H2,1-4H3
InChIKeyFDSOJNAEUVNOKK-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane
CID 102764740
(2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154996
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156692
1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 102763473
(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 102763380
1-(5-chloro-4-methylthiophen-2-yl)dodecan-1-amine
CID 102763389
1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine
CID 102763474
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane
CID 65157637
5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene
CID 102764964
(2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 81431016
6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide
CID 102764308

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 102763547) is (5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine is Cc1cc(C(N)C2C(C)OC(C)C2C)sc1Cl.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is FDSOJNAEUVNOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-6-5-10(17-13(6)14)12(15)11-7(2)8(3)16-9(11)4/h5,7-9,11-12H,15H2,1-4H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
(5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 273.83 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 102763547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).