1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine

C14H20N2OS — CID 65175728

IUPAC1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine
SMILESCCOCCCn1ccc2c(SC)cc(N)cc21
InChIInChI=1S/C14H20N2OS/c1-3-17-8-4-6-16-7-5-12-13(16)9-11(15)10-14(12)18-2/h5,7,9-10H,3-4,6,8,15H2,1-2H3
InChIKeyYJRLNIGWSYWUHS-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.37
Rot. Bonds6

About 1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine

1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine (PubChem CID 65175728) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine
PubChem CID65175728
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine
SMILESCCOCCCn1ccc2c(SC)cc(N)cc21
InChIInChI=1S/C14H20N2OS/c1-3-17-8-4-6-16-7-5-12-13(16)9-11(15)10-14(12)18-2/h5,7,9-10H,3-4,6,8,15H2,1-2H3
InChIKeyYJRLNIGWSYWUHS-UHFFFAOYSA-N
XLogP3.37
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Methylthiodimethyltryptamine
CID 193459
2-((1-propyl-1H-indol-3-yl)thio)acetamide
CID 2046611
2-(1-Methylindol-3-yl)sulfanylacetamide
CID 4433539
2-((1-ethyl-1H-indol-3-yl)thio)acetamide
CID 4462601
1-(2-methoxyethyl)-1H-indol-6-amine
CID 43308831
N-[2-(4-methylsulfanyl-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 44384478
1-(2-methoxyethyl)-1H-indol-6-amine hydrochloride
CID 71757935
2-[1-[(3,5-Difluorophenyl)methyl]-6-(2-methoxyethylamino)indol-3-yl]sulfanylbenzonitrile
CID 66842122
2-[4-(fluoromethylsulfanyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 178015121
1-[3-(2,2,2-Trifluoroethoxy)propyl]indol-6-amine
CID 61491274
1-[3-(2,2,2-Trifluoroethoxy)propyl]indol-4-amine
CID 64253038
4-Ethylsulfanyl-1-[2-(trifluoromethoxy)ethyl]indol-6-amine
CID 65805412

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine?
The IUPAC name of 1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine (CID 65175728) is 1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine is CCOCCCn1ccc2c(SC)cc(N)cc21.
What is the InChIKey of 1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine?
The InChIKey is YJRLNIGWSYWUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-17-8-4-6-16-7-5-12-13(16)9-11(15)10-14(12)18-2/h5,7,9-10H,3-4,6,8,15H2,1-2H3.
What are the key properties of 1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine?
1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine has a molecular weight of 264.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-4-methylsulfanylindol-6-amine is sourced from PubChem (CID 65175728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).