1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C19H23NS — CID 115813113

IUPAC1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCSc1ccc(C(N)CC2CCCc3ccccc32)cc1
InChIInChI=1S/C19H23NS/c1-21-17-11-9-15(10-12-17)19(20)13-16-7-4-6-14-5-2-3-8-18(14)16/h2-3,5,8-12,16,19H,4,6-7,13,20H2,1H3
InChIKeyXOXIOUYAZQICPE-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.92
Rot. Bonds4

About 1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 115813113) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID115813113
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCSc1ccc(C(N)CC2CCCc3ccccc32)cc1
InChIInChI=1S/C19H23NS/c1-21-17-11-9-15(10-12-17)19(20)13-16-7-4-6-14-5-2-3-8-18(14)16/h2-3,5,8-12,16,19H,4,6-7,13,20H2,1H3
InChIKeyXOXIOUYAZQICPE-UHFFFAOYSA-N
XLogP4.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-methylsulfanylphenyl)ethanamine
CID 114983745
[1-(4-fluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105192680
1-(4-fluoro-2-methylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 81270071
1-(5-bromothiophen-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105107044
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(2-methylcyclopropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65420172
1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 63772832
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)butan-2-amine
CID 66233726
1-(2-bromo-6-fluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 114886807
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405354
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105107040
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 115813113) is 1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is CSc1ccc(C(N)CC2CCCc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is XOXIOUYAZQICPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-21-17-11-9-15(10-12-17)19(20)13-16-7-4-6-14-5-2-3-8-18(14)16/h2-3,5,8-12,16,19H,4,6-7,13,20H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 297.47 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 115813113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).