N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine

C18H25NOS — CID 79972709

IUPACN-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)c1sccc1CC
InChIInChI=1S/C18H25NOS/c1-5-14-11-12-21-18(14)17(19-6-2)15-7-9-16(10-8-15)20-13(3)4/h7-13,17,19H,5-6H2,1-4H3
InChIKeyAFXJDFMCOICQQR-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.80
Rot. Bonds7

About N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine

N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 79972709) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID79972709
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)c1sccc1CC
InChIInChI=1S/C18H25NOS/c1-5-14-11-12-21-18(14)17(19-6-2)15-7-9-16(10-8-15)20-13(3)4/h7-13,17,19H,5-6H2,1-4H3
InChIKeyAFXJDFMCOICQQR-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 79985142
N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851065
N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492161
1-(3-ethylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105018995
N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492153
N-ethyl-1-(3-ethylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013350
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
N-[(3-ethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 79986033
N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027336
N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 43485510
N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 63798446

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 79972709) is N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC(C)C)cc1)c1sccc1CC.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is AFXJDFMCOICQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-5-14-11-12-21-18(14)17(19-6-2)15-7-9-16(10-8-15)20-13(3)4/h7-13,17,19H,5-6H2,1-4H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 303.47 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 79972709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).