N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline

C18H25NOS — CID 63453205

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NC(C)c1ccc(CC)s1
InChIInChI=1S/C18H25NOS/c1-5-11-20-17-12-13(3)7-9-16(17)19-14(4)18-10-8-15(6-2)21-18/h7-10,12,14,19H,5-6,11H2,1-4H3
InChIKeyPJKLQNBEUSAVGC-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.58
Rot. Bonds7

About N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline

N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline (PubChem CID 63453205) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline
PubChem CID63453205
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NC(C)c1ccc(CC)s1
InChIInChI=1S/C18H25NOS/c1-5-11-20-17-12-13(3)7-9-16(17)19-14(4)18-10-8-15(6-2)21-18/h7-10,12,14,19H,5-6,11H2,1-4H3
InChIKeyPJKLQNBEUSAVGC-UHFFFAOYSA-N
XLogP5.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-iodophenyl)ethyl]-4-methyl-2-propoxyaniline
CID 63453295
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 61334358
N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine
CID 63445661
N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline
CID 61334130
4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
CID 103561671
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 102834473
4-bromo-2-[1-(5-ethylthiophen-2-yl)ethylamino]benzonitrile
CID 107797583
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide
CID 61063068

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline (CID 63453205) is N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline is CCCOc1cc(C)ccc1NC(C)c1ccc(CC)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline?
The InChIKey is PJKLQNBEUSAVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-5-11-20-17-12-13(3)7-9-16(17)19-14(4)18-10-8-15(6-2)21-18/h7-10,12,14,19H,5-6,11H2,1-4H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline?
N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline has a molecular weight of 303.47 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline is sourced from PubChem (CID 63453205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).