N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine

C19H21NS — CID 63776349

IUPACN-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cccc2ccccc12
InChIInChI=1S/C19H21NS/c1-2-20-19(13-12-16-9-6-14-21-16)18-11-5-8-15-7-3-4-10-17(15)18/h3-11,14,19-20H,2,12-13H2,1H3
InChIKeyVWZDRIJDQSOPMM-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.18
Rot. Bonds6

About N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine

N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine (PubChem CID 63776349) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
PubChem CID63776349
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC NameN-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cccc2ccccc12
InChIInChI=1S/C19H21NS/c1-2-20-19(13-12-16-9-6-14-21-16)18-11-5-8-15-7-3-4-10-17(15)18/h3-11,14,19-20H,2,12-13H2,1H3
InChIKeyVWZDRIJDQSOPMM-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 105119949
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 107968303
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861015
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695
2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol
CID 61054191
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860919

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine (CID 63776349) is N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is VWZDRIJDQSOPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-2-20-19(13-12-16-9-6-14-21-16)18-11-5-8-15-7-3-4-10-17(15)18/h3-11,14,19-20H,2,12-13H2,1H3.
What are the key properties of N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine?
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63776349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).