(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine

C14H14ClNO2S — CID 102763380

IUPAC(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
SMILESCc1cc(C(N)C2COc3ccccc3O2)sc1Cl
InChIInChI=1S/C14H14ClNO2S/c1-8-6-12(19-14(8)15)13(16)11-7-17-9-4-2-3-5-10(9)18-11/h2-6,11,13H,7,16H2,1H3
InChIKeyFCRQHAOIBBFQCM-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.55
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine

(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine (PubChem CID 102763380) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
PubChem CID102763380
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
SMILESCc1cc(C(N)C2COc3ccccc3O2)sc1Cl
InChIInChI=1S/C14H14ClNO2S/c1-8-6-12(19-14(8)15)13(16)11-7-17-9-4-2-3-5-10(9)18-11/h2-6,11,13H,7,16H2,1H3
InChIKeyFCRQHAOIBBFQCM-UHFFFAOYSA-N
XLogP3.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine
CID 43198601
2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65352451
2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine
CID 15193417
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
N-[(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 102764052
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylthiophen-2-yl)methanol
CID 81158440
2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626167
(5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61087978
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine
CID 80531468
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 65352448
2,3-dihydro-1,4-benzodioxin-3-yl-(1-methylpyrazol-4-yl)methanamine
CID 43124178

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine (CID 102763380) is (5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine is Cc1cc(C(N)C2COc3ccccc3O2)sc1Cl.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine?
The InChIKey is FCRQHAOIBBFQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-8-6-12(19-14(8)15)13(16)11-7-17-9-4-2-3-5-10(9)18-11/h2-6,11,13H,7,16H2,1H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine?
(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine has a molecular weight of 295.79 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine is sourced from PubChem (CID 102763380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).