N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

C19H21NS — CID 115851065

IUPACN-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1sccc1CC
InChIInChI=1S/C19H21NS/c1-3-14-11-12-21-19(14)18(20-4-2)17-10-9-15-7-5-6-8-16(15)13-17/h5-13,18,20H,3-4H2,1-2H3
InChIKeyKJOAOZIPPDZVQY-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.16
Rot. Bonds5

About N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (PubChem CID 115851065) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
PubChem CID115851065
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC NameN-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1sccc1CC
InChIInChI=1S/C19H21NS/c1-3-14-11-12-21-19(14)18(20-4-2)17-10-9-15-7-5-6-8-16(15)13-17/h5-13,18,20H,3-4H2,1-2H3
InChIKeyKJOAOZIPPDZVQY-UHFFFAOYSA-N
XLogP5.16
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 ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 80528896
N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79972709
N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 103405840
N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 81156291
N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 65278880
N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 79985142
1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798023
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 43488213
N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115850996
N-[(3,5-difluorophenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115851656

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (CID 115851065) is N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is CCNC(c1ccc2ccccc2c1)c1sccc1CC.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The InChIKey is KJOAOZIPPDZVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-3-14-11-12-21-19(14)18(20-4-2)17-10-9-15-7-5-6-8-16(15)13-17/h5-13,18,20H,3-4H2,1-2H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine has a molecular weight of 295.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is sourced from PubChem (CID 115851065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).