N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine

C18H19NOS — CID 60889619

IUPACN-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine
SMILESCCNCc1c(OCc2cccs2)ccc2ccccc12
InChIInChI=1S/C18H19NOS/c1-2-19-12-17-16-8-4-3-6-14(16)9-10-18(17)20-13-15-7-5-11-21-15/h3-11,19H,2,12-13H2,1H3
InChIKeyFBDXWPFFFXUINC-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.59
Rot. Bonds6

About N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine

N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine (PubChem CID 60889619) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine
PubChem CID60889619
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine
SMILESCCNCc1c(OCc2cccs2)ccc2ccccc12
InChIInChI=1S/C18H19NOS/c1-2-19-12-17-16-8-4-3-6-14(16)9-10-18(17)20-13-15-7-5-11-21-15/h3-11,19H,2,12-13H2,1H3
InChIKeyFBDXWPFFFXUINC-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082
N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053652
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxy-N,N-dimethylethanamine
CID 39290120
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 62311911
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 60882928
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053536
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 104804665

Frequently Asked Questions

What is the IUPAC name of N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine (CID 60889619) is N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine is CCNCc1c(OCc2cccs2)ccc2ccccc12.
What is the InChIKey of N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine?
The InChIKey is FBDXWPFFFXUINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-2-19-12-17-16-8-4-3-6-14(16)9-10-18(17)20-13-15-7-5-11-21-15/h3-11,19H,2,12-13H2,1H3.
What are the key properties of N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine?
N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine has a molecular weight of 297.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine is sourced from PubChem (CID 60889619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).