1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine

C17H23NOS — CID 61473078

IUPAC1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ccccc2OC(C)C)s1
InChIInChI=1S/C17H23NOS/c1-12(2)19-16-8-6-5-7-15(16)11-18-14(4)17-10-9-13(3)20-17/h5-10,12,14,18H,11H2,1-4H3
InChIKeyHJLZWZVRVPZBOM-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.69
Rot. Bonds6

About 1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine

1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 61473078) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID61473078
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ccccc2OC(C)C)s1
InChIInChI=1S/C17H23NOS/c1-12(2)19-16-8-6-5-7-15(16)11-18-14(4)17-10-9-13(3)20-17/h5-10,12,14,18H,11H2,1-4H3
InChIKeyHJLZWZVRVPZBOM-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43427109
N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide
CID 97231696
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556
(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375155
N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine
CID 78977002
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 79254170
(1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 97228607
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672
N-[(2-bromo-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54953144
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43098513

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine (CID 61473078) is 1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine is Cc1ccc(C(C)NCc2ccccc2OC(C)C)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is HJLZWZVRVPZBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-12(2)19-16-8-6-5-7-15(16)11-18-14(4)17-10-9-13(3)20-17/h5-10,12,14,18H,11H2,1-4H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine?
1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 61473078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).