1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine

C16H21NOS — CID 62602516

IUPAC1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine
SMILESCCc1ccc(CC(N)Cc2ccc(OC)cc2)s1
InChIInChI=1S/C16H21NOS/c1-3-15-8-9-16(19-15)11-13(17)10-12-4-6-14(18-2)7-5-12/h4-9,13H,3,10-11,17H2,1-2H3
InChIKeyRCJOEJDENDQNGS-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.43
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine

1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine (PubChem CID 62602516) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine
PubChem CID62602516
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine
SMILESCCc1ccc(CC(N)Cc2ccc(OC)cc2)s1
InChIInChI=1S/C16H21NOS/c1-3-15-8-9-16(19-15)11-13(17)10-12-4-6-14(18-2)7-5-12/h4-9,13H,3,10-11,17H2,1-2H3
InChIKeyRCJOEJDENDQNGS-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 62622229
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421
1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
CID 170888988
1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79952744

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine (CID 62602516) is 1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine is CCc1ccc(CC(N)Cc2ccc(OC)cc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine?
The InChIKey is RCJOEJDENDQNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-15-8-9-16(19-15)11-13(17)10-12-4-6-14(18-2)7-5-12/h4-9,13H,3,10-11,17H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine?
1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 62602516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).