1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine

C15H16ClNOS — CID 105049025

IUPAC1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
SMILESCNC(c1cccc2c1OCCC2)c1sccc1Cl
InChIInChI=1S/C15H16ClNOS/c1-17-13(15-12(16)7-9-19-15)11-6-2-4-10-5-3-8-18-14(10)11/h2,4,6-7,9,13,17H,3,5,8H2,1H3
InChIKeyOSMTUJAIQOTNPE-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.04
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine

1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine (PubChem CID 105049025) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
PubChem CID105049025
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
SMILESCNC(c1cccc2c1OCCC2)c1sccc1Cl
InChIInChI=1S/C15H16ClNOS/c1-17-13(15-12(16)7-9-19-15)11-6-2-4-10-5-3-8-18-14(10)11/h2,4,6-7,9,13,17H,3,5,8H2,1H3
InChIKeyOSMTUJAIQOTNPE-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105049103
1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745209
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 104545410
1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745408
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 80644609
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049004
1-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049275
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049062
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187282
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
CID 114744967
1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374331

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine (CID 105049025) is 1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine is CNC(c1cccc2c1OCCC2)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The InChIKey is OSMTUJAIQOTNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-17-13(15-12(16)7-9-19-15)11-6-2-4-10-5-3-8-18-14(10)11/h2,4,6-7,9,13,17H,3,5,8H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine has a molecular weight of 293.82 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine is sourced from PubChem (CID 105049025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).