N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine

C17H23NOS — CID 60936190

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(C)Cc1ccccc1OC)c1cccs1
InChIInChI=1S/C17H23NOS/c1-4-15(17-10-7-11-20-17)18-13(2)12-14-8-5-6-9-16(14)19-3/h5-11,13,15,18H,4,12H2,1-3H3
InChIKeyJDUFJPRGSUIGEC-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.43
Rot. Bonds7

About N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine

N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 60936190) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine
PubChem CID60936190
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(C)Cc1ccccc1OC)c1cccs1
InChIInChI=1S/C17H23NOS/c1-4-15(17-10-7-11-20-17)18-13(2)12-14-8-5-6-9-16(14)19-3/h5-11,13,15,18H,4,12H2,1-3H3
InChIKeyJDUFJPRGSUIGEC-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43783277
2-(2-methoxyphenyl)-1-thiophen-2-ylethanol
CID 61087312
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-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
CID 119165092
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43734036
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide
CID 106344173
(2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol
CID 97232572

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine (CID 60936190) is N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine is CCC(NC(C)Cc1ccccc1OC)c1cccs1.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is JDUFJPRGSUIGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-15(17-10-7-11-20-17)18-13(2)12-14-8-5-6-9-16(14)19-3/h5-11,13,15,18H,4,12H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine?
N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 60936190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).