1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine

C19H21NS — CID 62369422

IUPAC1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCCc1ccc(C(C)NCc2cccc3ccccc23)s1
InChIInChI=1S/C19H21NS/c1-3-17-11-12-19(21-17)14(2)20-13-16-9-6-8-15-7-4-5-10-18(15)16/h4-12,14,20H,3,13H2,1-2H3
InChIKeyQEKUHRKROKJGFZ-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.31
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine

1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 62369422) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID62369422
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCCc1ccc(C(C)NCc2cccc3ccccc23)s1
InChIInChI=1S/C19H21NS/c1-3-17-11-12-19(21-17)14(2)20-13-16-9-6-8-15-7-4-5-10-18(15)16/h4-12,14,20H,3,13H2,1-2H3
InChIKeyQEKUHRKROKJGFZ-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
1-(5-ethylthiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 61334131
(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81403197
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
CID 112668597
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
CID 61335935
1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 61336092
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81357004
4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61333939
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932
N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine
CID 63425907
(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine (CID 62369422) is 1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine is CCc1ccc(C(C)NCc2cccc3ccccc23)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is QEKUHRKROKJGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-3-17-11-12-19(21-17)14(2)20-13-16-9-6-8-15-7-4-5-10-18(15)16/h4-12,14,20H,3,13H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 295.45 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 62369422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).