N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine

C16H22N2O2S — CID 105026473

IUPACN-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OCC)c1)c1cc(OC)cs1
InChIInChI=1S/C16H22N2O2S/c1-4-6-18-16(15-8-14(19-3)11-21-15)12-7-13(20-5-2)10-17-9-12/h7-11,16,18H,4-6H2,1-3H3
InChIKeyFUBQDFKAQGZUMH-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.64
Rot. Bonds8

About N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine

N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 105026473) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID105026473
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OCC)c1)c1cc(OC)cs1
InChIInChI=1S/C16H22N2O2S/c1-4-6-18-16(15-8-14(19-3)11-21-15)12-7-13(20-5-2)10-17-9-12/h7-11,16,18H,4-6H2,1-3H3
InChIKeyFUBQDFKAQGZUMH-UHFFFAOYSA-N
XLogP3.64
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115816052
N-[(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105025951
N-[(2-chlorofuran-3-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 106692879
N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81121964
N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 105175445
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127179
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026808
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105025942
N-[(4-bromo-2,5-difluorophenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81122126
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105042627

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine (CID 105026473) is N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cncc(OCC)c1)c1cc(OC)cs1.
What is the InChIKey of N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is FUBQDFKAQGZUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-6-18-16(15-8-14(19-3)11-21-15)12-7-13(20-5-2)10-17-9-12/h7-11,16,18H,4-6H2,1-3H3.
What are the key properties of N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine has a molecular weight of 306.43 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105026473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).