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

C18H23NS — CID 63772271

IUPAC1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCC2CCCc3ccccc32)s1
InChIInChI=1S/C18H23NS/c1-13-10-11-18(20-13)14(2)19-12-16-8-5-7-15-6-3-4-9-17(15)16/h3-4,6,9-11,14,16,19H,5,7-8,12H2,1-2H3
InChIKeySXUNBPVPWWOERQ-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.83
Rot. Bonds4

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

1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine (PubChem CID 63772271) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
PubChem CID63772271
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCC2CCCc3ccccc32)s1
InChIInChI=1S/C18H23NS/c1-13-10-11-18(20-13)14(2)19-12-16-8-5-7-15-6-3-4-9-17(15)16/h3-4,6,9-11,14,16,19H,5,7-8,12H2,1-2H3
InChIKeySXUNBPVPWWOERQ-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 54921834
1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63772960
(1R)-1-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81347497
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine
CID 114416758
4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butan-2-amine
CID 83188117
1-N,1-N-dimethyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butane-1,3-diamine
CID 63771246
N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 63250996
1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine
CID 113496280
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine (CID 63772271) is 1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine is Cc1ccc(C(C)NCC2CCCc3ccccc32)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The InChIKey is SXUNBPVPWWOERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-13-10-11-18(20-13)14(2)19-12-16-8-5-7-15-6-3-4-9-17(15)16/h3-4,6,9-11,14,16,19H,5,7-8,12H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 63772271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).