N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine

C17H23NOS — CID 62501355

IUPACN-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine
SMILESCCNC(Cc1cccs1)Cc1cc(C)ccc1OC
InChIInChI=1S/C17H23NOS/c1-4-18-15(12-16-6-5-9-20-16)11-14-10-13(2)7-8-17(14)19-3/h5-10,15,18H,4,11-12H2,1-3H3
InChIKeyJRHAWNOUAUJSTN-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.83
Rot. Bonds7

About N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine

N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine (PubChem CID 62501355) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine
PubChem CID62501355
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine
SMILESCCNC(Cc1cccs1)Cc1cc(C)ccc1OC
InChIInChI=1S/C17H23NOS/c1-4-18-15(12-16-6-5-9-20-16)11-14-10-13(2)7-8-17(14)19-3/h5-10,15,18H,4,11-12H2,1-3H3
InChIKeyJRHAWNOUAUJSTN-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 62604361
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-phenylpropan-2-amine
CID 62160348
N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432805
1-(2-methoxy-5-methylphenyl)-N-(thiophen-2-ylmethyl)propan-2-amine;hydrochloride
CID 24846487
1-(5-bromo-2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501357
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65325080
1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
CID 55078933
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135698
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 116661892
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine
CID 106680519
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine (CID 62501355) is N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine is CCNC(Cc1cccs1)Cc1cc(C)ccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine?
The InChIKey is JRHAWNOUAUJSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-18-15(12-16-6-5-9-20-16)11-14-10-13(2)7-8-17(14)19-3/h5-10,15,18H,4,11-12H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine?
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 62501355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).