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

C16H19NO2S — CID 105049103

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cccc2c1OCCC2)c1sccc1OC
InChIInChI=1S/C16H19NO2S/c1-17-14(16-13(18-2)8-10-20-16)12-7-3-5-11-6-4-9-19-15(11)12/h3,5,7-8,10,14,17H,4,6,9H2,1-2H3
InChIKeyIDTPISCIDLQPGN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.39
Rot. Bonds4

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

1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 105049103) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID105049103
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cccc2c1OCCC2)c1sccc1OC
InChIInChI=1S/C16H19NO2S/c1-17-14(16-13(18-2)8-10-20-16)12-7-3-5-11-6-4-9-19-15(11)12/h3,5,7-8,10,14,17H,4,6,9H2,1-2H3
InChIKeyIDTPISCIDLQPGN-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049025
1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374331
1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745408
1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745209
1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
1-(3-methoxythiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853851
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049004
1-(3,4-dihydro-2H-chromen-8-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114746173
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81126472
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-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187282

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (CID 105049103) is 1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is CNC(c1cccc2c1OCCC2)c1sccc1OC.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is IDTPISCIDLQPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-17-14(16-13(18-2)8-10-20-16)12-7-3-5-11-6-4-9-19-15(11)12/h3,5,7-8,10,14,17H,4,6,9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 289.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105049103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).