N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine

C14H21NOS — CID 79368198

IUPACN-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2cc(OC)ccc2CC1SCC
InChIInChI=1S/C14H21NOS/c1-4-15-14-12-9-11(16-3)7-6-10(12)8-13(14)17-5-2/h6-7,9,13-15H,4-5,8H2,1-3H3
InChIKeyMQLHCZXBZJTUAI-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.02
Rot. Bonds5

About N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79368198) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79368198
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2cc(OC)ccc2CC1SCC
InChIInChI=1S/C14H21NOS/c1-4-15-14-12-9-11(16-3)7-6-10(12)8-13(14)17-5-2/h6-7,9,13-15H,4-5,8H2,1-3H3
InChIKeyMQLHCZXBZJTUAI-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-methoxy-2-(2-methylbutylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 107763601
1-N-ethyl-6-methoxy-2-N-methyl-2-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79375098
methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate
CID 79236632
N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64620538
N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine
CID 79375167
3-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79237319
2-N-cyclopentyl-1-N-ethyl-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79370507
N-ethyl-6-methoxy-2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79374745
6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79375427
3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79375512
[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 79248721
N-ethyl-6-methoxy-2-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370488

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79368198) is N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine is CCNC1c2cc(OC)ccc2CC1SCC.
What is the InChIKey of N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MQLHCZXBZJTUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-15-14-12-9-11(16-3)7-6-10(12)8-13(14)17-5-2/h6-7,9,13-15H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 251.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79368198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).