N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline

C16H21NOS — CID 62345185

IUPACN-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccc(CC)s2)c1
InChIInChI=1S/C16H21NOS/c1-3-10-18-14-7-5-6-13(11-14)17-12-16-9-8-15(4-2)19-16/h5-9,11,17H,3-4,10,12H2,1-2H3
InChIKeyQBULKKNOLLGNJR-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.71
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline

N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline (PubChem CID 62345185) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline
PubChem CID62345185
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccc(CC)s2)c1
InChIInChI=1S/C16H21NOS/c1-3-10-18-14-7-5-6-13(11-14)17-12-16-9-8-15(4-2)19-16/h5-9,11,17H,3-4,10,12H2,1-2H3
InChIKeyQBULKKNOLLGNJR-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-3-propoxyaniline
CID 43693708
5-[(3-propoxyanilino)methyl]thiophene-2-carbonitrile
CID 115675673
2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62345183
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(5-bromothiophen-2-yl)methyl]-3-ethoxyaniline
CID 54864892
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 54864777
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
N-(furan-3-ylmethyl)-3-propoxyaniline
CID 63204676
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline (CID 62345185) is N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline is CCCOc1cccc(NCc2ccc(CC)s2)c1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline?
The InChIKey is QBULKKNOLLGNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-10-18-14-7-5-6-13(11-14)17-12-16-9-8-15(4-2)19-16/h5-9,11,17H,3-4,10,12H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline?
N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline has a molecular weight of 275.42 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline is sourced from PubChem (CID 62345185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).