1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine

C17H23NOS — CID 60936055

IUPAC1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)c1ccc(C)s1
InChIInChI=1S/C17H23NOS/c1-12(11-15-7-5-6-8-16(15)19-4)18-14(3)17-10-9-13(2)20-17/h5-10,12,14,18H,11H2,1-4H3
InChIKeyVPKICGDSOQVZEA-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.35
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine

1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine (PubChem CID 60936055) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
PubChem CID60936055
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)c1ccc(C)s1
InChIInChI=1S/C17H23NOS/c1-12(11-15-7-5-6-8-16(15)19-4)18-14(3)17-10-9-13(2)20-17/h5-10,12,14,18H,11H2,1-4H3
InChIKeyVPKICGDSOQVZEA-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115710214
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 107354281
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
CID 119165092
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 115726774
2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
CID 63443929
N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine
CID 60936190
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 61473078
1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine
CID 119165186

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine (CID 60936055) is 1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine is COc1ccccc1CC(C)NC(C)c1ccc(C)s1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine?
The InChIKey is VPKICGDSOQVZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-12(11-15-7-5-6-8-16(15)19-4)18-14(3)17-10-9-13(2)20-17/h5-10,12,14,18H,11H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine?
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 60936055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).