N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine

C14H18N2OS — CID 43206362

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(OC)nc1)c1cccs1
InChIInChI=1S/C14H18N2OS/c1-3-12(13-5-4-8-18-13)15-9-11-6-7-14(17-2)16-10-11/h4-8,10,12,15H,3,9H2,1-2H3
InChIKeyGZGBJUSMSSFPRE-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.39
Rot. Bonds6

About N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 43206362) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID43206362
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(OC)nc1)c1cccs1
InChIInChI=1S/C14H18N2OS/c1-3-12(13-5-4-8-18-13)15-9-11-6-7-14(17-2)16-10-11/h4-8,10,12,15H,3,9H2,1-2H3
InChIKeyGZGBJUSMSSFPRE-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 126766560
1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 61057517
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058131
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057204
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058748
1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206298
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 119110315
N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine
CID 63946078

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 43206362) is N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1ccc(OC)nc1)c1cccs1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is GZGBJUSMSSFPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-12(13-5-4-8-18-13)15-9-11-6-7-14(17-2)16-10-11/h4-8,10,12,15H,3,9H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43206362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).