N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

C18H25NOS — CID 63506843

IUPACN-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)c1cc(C)ccc1OCC
InChIInChI=1S/C18H25NOS/c1-5-11-19-18(17-10-8-14(4)21-17)15-12-13(3)7-9-16(15)20-6-2/h7-10,12,18-19H,5-6,11H2,1-4H3
InChIKeyLRQVJSRFTXIMGU-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.85
Rot. Bonds7

About N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 63506843) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID63506843
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)c1cc(C)ccc1OCC
InChIInChI=1S/C18H25NOS/c1-5-11-19-18(17-10-8-14(4)21-17)15-12-13(3)7-9-16(15)20-6-2/h7-10,12,18-19H,5-6,11H2,1-4H3
InChIKeyLRQVJSRFTXIMGU-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81109636
N-[(2,4-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494187
2-[bromo-(2-ethoxy-5-methylphenyl)methyl]-5-methylthiophene
CID 63447966
N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 65237138
1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 62302159
N-[(2-bromofuran-3-yl)-(2-ethoxy-5-methylphenyl)methyl]propan-1-amine
CID 106851786
N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63048599
N-[(2-fluoro-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 62515682
1-(2-ethoxy-5-methylphenyl)-2-(propylamino)butan-1-ol
CID 82315202
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480464
N-[(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 104851227
N-[(2-chlorofuran-3-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 106684250

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 63506843) is N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)s1)c1cc(C)ccc1OCC.
What is the InChIKey of N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is LRQVJSRFTXIMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-5-11-19-18(17-10-8-14(4)21-17)15-12-13(3)7-9-16(15)20-6-2/h7-10,12,18-19H,5-6,11H2,1-4H3.
What are the key properties of N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63506843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).