N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine

C17H23NOS — CID 79985142

IUPACN-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1sccc1CC
InChIInChI=1S/C17H23NOS/c1-4-11-18-16(17-13(5-2)10-12-20-17)14-6-8-15(19-3)9-7-14/h6-10,12,16,18H,4-5,11H2,1-3H3
InChIKeyIBXSREOJYAJKGN-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.41
Rot. Bonds7

About N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine

N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 79985142) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine
PubChem CID79985142
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1sccc1CC
InChIInChI=1S/C17H23NOS/c1-4-11-18-16(17-13(5-2)10-12-20-17)14-6-8-15(19-3)9-7-14/h6-10,12,16,18H,4-5,11H2,1-3H3
InChIKeyIBXSREOJYAJKGN-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 79971418
N-[(3,5-difluorophenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115851656
N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79972709
N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032074
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127501
N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 79973511
N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115853680
(3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 79975365
N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851065
N-[(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302882
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine (CID 79985142) is N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1)c1sccc1CC.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is IBXSREOJYAJKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-11-18-16(17-13(5-2)10-12-20-17)14-6-8-15(19-3)9-7-14/h6-10,12,16,18H,4-5,11H2,1-3H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.41, 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-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 79985142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).