N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine

C19H25NO3S — CID 15023245

IUPACN-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCOc1ccc2c(c1OC)OCCC2CN(C)CCc1cccs1
InChIInChI=1S/C19H25NO3S/c1-20(10-8-15-5-4-12-24-15)13-14-9-11-23-18-16(14)6-7-17(21-2)19(18)22-3/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyFNWGNKZMPYPPCF-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.81
Rot. Bonds7

About N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine

N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 15023245) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
PubChem CID15023245
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCOc1ccc2c(c1OC)OCCC2CN(C)CCc1cccs1
InChIInChI=1S/C19H25NO3S/c1-20(10-8-15-5-4-12-24-15)13-14-9-11-23-18-16(14)6-7-17(21-2)19(18)22-3/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyFNWGNKZMPYPPCF-UHFFFAOYSA-N
XLogP3.81
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine with MolForge

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 54241547
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79485681
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)propan-1-amine;hydrochloride
CID 23126384
5-amino-2-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79475810
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine
CID 79488069
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 90610813
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-thiophen-2-ylethanamine
CID 60657975
N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
CID 79486152
1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486262
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine (CID 15023245) is N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine is COc1ccc2c(c1OC)OCCC2CN(C)CCc1cccs1.
What is the InChIKey of N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is FNWGNKZMPYPPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-20(10-8-15-5-4-12-24-15)13-14-9-11-23-18-16(14)6-7-17(21-2)19(18)22-3/h4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 347.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 15023245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).