1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine

C16H19NOS — CID 81126472

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCC2)c1sccc1OC
InChIInChI=1S/C16H19NOS/c1-17-15(16-14(18-2)8-9-19-16)13-7-6-11-4-3-5-12(11)10-13/h6-10,15,17H,3-5H2,1-2H3
InChIKeyKBDAHFRALHMFOT-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.55
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine

1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 81126472) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID81126472
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCC2)c1sccc1OC
InChIInChI=1S/C16H19NOS/c1-17-15(16-14(18-2)8-9-19-16)13-7-6-11-4-3-5-12(11)10-13/h6-10,15,17H,3-5H2,1-2H3
InChIKeyKBDAHFRALHMFOT-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487646
1-(2-methoxyphenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480670
1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850644
1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127265
1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105049103
6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 81122099
1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 107979764
1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127081
N-[2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methyl]ethanamine
CID 43491773
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302367

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (CID 81126472) is 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)CCC2)c1sccc1OC.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is KBDAHFRALHMFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-17-15(16-14(18-2)8-9-19-16)13-7-6-11-4-3-5-12(11)10-13/h6-10,15,17H,3-5H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81126472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).