1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine

C19H25NS — CID 63772960

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESCc1cc(C(C)NCC2CCCc3ccccc32)c(C)s1
InChIInChI=1S/C19H25NS/c1-13-11-19(15(3)21-13)14(2)20-12-17-9-6-8-16-7-4-5-10-18(16)17/h4-5,7,10-11,14,17,20H,6,8-9,12H2,1-3H3
InChIKeyAGZUYRITIILDMX-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.14
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine (PubChem CID 63772960) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
PubChem CID63772960
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESCc1cc(C(C)NCC2CCCc3ccccc32)c(C)s1
InChIInChI=1S/C19H25NS/c1-13-11-19(15(3)21-13)14(2)20-12-17-9-6-8-16-7-4-5-10-18(16)17/h4-5,7,10-11,14,17,20H,6,8-9,12H2,1-3H3
InChIKeyAGZUYRITIILDMX-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63772271
(1R)-1-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81347497
1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63508230
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butan-2-amine
CID 83188117
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine
CID 114416758
1-N,1-N-dimethyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butane-1,3-diamine
CID 63771246
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80583978
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079622
1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386041
[1-(4,5-dimethylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105289310

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine (CID 63772960) is 1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine is Cc1cc(C(C)NCC2CCCc3ccccc32)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The InChIKey is AGZUYRITIILDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-13-11-19(15(3)21-13)14(2)20-12-17-9-6-8-16-7-4-5-10-18(16)17/h4-5,7,10-11,14,17,20H,6,8-9,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine has a molecular weight of 299.48 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 63772960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).